Geometry & MOs

Info

ID:

5004

PubChem CID:

12422

Reduced:

SO9C28H32 (1)

Stoich.:

AB9C28D32 (1)

Weight, g/mol:

544.176704

ΔHf, kcal/mol:

-346.29

Dipole, Da:

10.04

IP(EA), eV:

 -9.8(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)O)O)CCC5=CC(=O)C=CC35C)O

DOS

IR

Vibrations