Geometry & MOs

Info

ID:

180075

PubChem CID:

76572911

Reduced:

O3C30H52 (1)

Stoich.:

A3B30C52 (1)

Weight, g/mol:

881.560582

ΔHf, kcal/mol:

-225.4

Dipole, Da:

2.05

IP(EA), eV:

 -9.54(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[2-[2-fluoro-4-(17-hydroxy-13,16-dimethyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methylanilino]ethoxy]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCCOC1CCC2(C(C1)CC(C3C2CC(C4(C3CCC4C(C)CCC(=O)OC)C)C)C)C

DOS

IR

Vibrations