Geometry & MOs

Info

ID:

326789

PubChem CID:

126688203

Reduced:

FON6C15H17 (1)

Stoich.:

ABC6D15E17 (1)

Weight, g/mol:

511.177707

ΔHf, kcal/mol:

-2.44

Dipole, Da:

6.02

IP(EA), eV:

 -8.8(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(13S,15S)-3-hydroxy-16-(hydroxymethylidene)-13-methyl-2-nitro-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC1=NC(=NC=C1F)C2=CN3C(=NNC3=O)C=C2

DOS

IR

Vibrations