Geometry & MOs

Info

ID:

159235

PubChem CID:

57264559

Reduced:

O4C33H50 (1)

Stoich.:

A4B33C50 (1)

Weight, g/mol:

322.229666

ΔHf, kcal/mol:

-177.85

Dipole, Da:

3.17

IP(EA), eV:

 -8.56(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]furan

Drug info:

PubChemData

Smile

CCCCC(=O)C1(CC1)[C@H](C=CC(C)(C)[C@H]2CC[C@@H]3[C@@]2(CCCC3=CC=C4C[C@H](C[C@@H](C4=C)O)O)C)O

DOS

IR

Vibrations