Geometry & MOs

Info

ID:

181362

PubChem CID:

76734656

Reduced:

SN2O6C33H38 (1)

Stoich.:

AB2C6D33E38 (1)

Weight, g/mol:

508.203193

ΔHf, kcal/mol:

-125.22

Dipole, Da:

6.73

IP(EA), eV:

 -8.76(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,17-dihydroxy-17-[2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CC4C2(OC(O4)C5CCCC5)C(=O)CSC6=NC7=C(O6)C=CC=N7)CCC8=CC(=O)C=CC38C)O

DOS

IR

Vibrations