Geometry & MOs

Info

ID:

21786

PubChem CID:

589920

Reduced:

O4F7C25H29 (1)

Stoich.:

A4B7C25D29 (1)

Weight, g/mol:

526.195407

ΔHf, kcal/mol:

-538.94

Dipole, Da:

2.49

IP(EA), eV:

 -9.2(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) 2,2,3,3,4,4,4-heptafluorobutanoate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CC=C4C3(CCC(=C4)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C

DOS

IR

Vibrations