Geometry & MOs

Info

ID:	298824
PubChem CID:	117659393
Reduced:	ClFN2O4H24C27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	620.29451
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	5.42
IP(EA), eV:	-8.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S,5S,6S)-2-[(1R,15S,17S)-17-ethyl-7-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

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

C/C=C/1\COCC2=C1C(=O)C(=C3N2CCN(C3=O)CC4=CC(=C(C=C4)F)Cl)OCC5=CC=CC=C5

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

C/C=C/1\COCC2=C1C(=O)C(=C3N2CCN(C3=O)CC4=CC(=C(C=C4)F)Cl)OCC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):