Geometry & MOs

Info

ID:

219909

PubChem CID:

85165032

Reduced:

N2O3C41H46 (1)

Stoich.:

A2B3C41D46 (1)

Weight, g/mol:

614.400266

ΔHf, kcal/mol:

-43.99

Dipole, Da:

5.24

IP(EA), eV:

 -8.76(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[17-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]-7-methoxycarbonylnonanoic acid

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(C=CCCCN=CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(C)(C)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations