Geometry & MOs

Info

ID:

6489

PubChem CID:

68741

Reduced:

NO3C25H37 (1)

Stoich.:

AB3C25D37 (1)

Weight, g/mol:

399.277344

ΔHf, kcal/mol:

-169.97

Dipole, Da:

6.56

IP(EA), eV:

 -9.39(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(CCC(=C4)C(=O)O)C

DOS

IR

Vibrations