Geometry & MOs

Info

ID:

995

PubChem CID:

3643

Reduced:

O8C25H34 (1)

Stoich.:

A8B25C34 (1)

Weight, g/mol:

462.225368

ΔHf, kcal/mol:

-375.76

Dipole, Da:

0.67

IP(EA), eV:

 -9.8(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)O)O)C)O

DOS

IR

Vibrations