Geometry & MOs

Info

ID:	388855
PubChem CID:	134990417
Reduced:	ClSSi2N5O6C29H42 (1)
Stoich.:	ABC2D5E6F29G42 (1)
Weight, g/mol:	431.267173
ΔH_f, kcal/mol:	-314.65
Dipole, Da:	2.16
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R,8S,9S,11S,12S,13S,16S,18S)-8-acetyl-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-yl] acetate

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

CC(C)[Si]1(OCC2C(C(C(O2)N3C=NC4=C(N=C(N=C43)Cl)N)OC(=S)OC5=CC=CC=C5)O[Si](O1)(C(C)C)C(C)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

CC(C)[Si]1(OCC2C(C(C(O2)N3C=NC4=C(N=C(N=C43)Cl)N)OC(=S)OC5=CC=CC=C5)O[Si](O1)(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):