Geometry & MOs

Info

ID:	388767
PubChem CID:	134990145
Reduced:	SSiN3O5C19H27 (1)
Stoich.:	ABC3D5E19F27 (1)
Weight, g/mol:	1018.379892
ΔH_f, kcal/mol:	-233.84
Dipole, Da:	5.43
IP(EA), eV:	-9.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S)-3-[(3R)-5-ethyl-1-methylidene-3,6-dihydro-2H-pyridin-1-ium-3-yl]-1-methoxy-2-(3-methylideneindol-2-yl)-1-oxopropan-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O[Si](C)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O[Si](C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):