Geometry & MOs

Info

ID:

188879

PubChem CID:

77778411

Reduced:

N3O7C32H49 (1)

Stoich.:

A3B7C32D49 (1)

Weight, g/mol:

518.15292

ΔHf, kcal/mol:

-354.7

Dipole, Da:

5.25

IP(EA), eV:

 -8.81(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one;hydroiodide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)N2CCCC(C2)C(=O)NC(CCC3=CC(=CC=C3)OC)CC(=O)OC

DOS

IR

Vibrations