Geometry & MOs

Info

ID:

2135

PubChem CID:

5952

Reduced:

O4C23H32 (1)

Stoich.:

A4B23C32 (1)

Weight, g/mol:

372.23006

ΔHf, kcal/mol:

-197.54

Dipole, Da:

6.55

IP(EA), eV:

 -9.74(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

DOS

IR

Vibrations