Geometry & MOs

Info

ID:

52772

PubChem CID:

12015928

Reduced:

O5C32H52 (1)

Stoich.:

A5B32C52 (1)

Weight, g/mol:

331.287515

ΔHf, kcal/mol:

-292.11

Dipole, Da:

4.67

IP(EA), eV:

 -9.14(0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3R,5S,8S,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(methylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CCO[C@H]1[C@H](C[C@@H](O1)[C@H](C(C)(C)O)O)[C@H]2CC[C@]3([C@]2(CC[C@H]4C3=CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C

DOS

IR

Vibrations