Geometry & MOs

Info

ID:

189597

PubChem CID:

77877844

Reduced:

F3O6C24H29 (1)

Stoich.:

A3B6C24D29 (1)

Weight, g/mol:

530.09516

ΔHf, kcal/mol:

-355.3

Dipole, Da:

9.86

IP(EA), eV:

 -9.17(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=C(C(=O)C(=CC43C)C)F)F)F)O)C)C(=O)O

DOS

IR

Vibrations