Geometry & MOs

Info

ID:

12105

PubChem CID:

130227

Reduced:

NO3C24H33 (1)

Stoich.:

AB3C24D33 (1)

Weight, g/mol:

383.246044

ΔHf, kcal/mol:

-164.51

Dipole, Da:

8.0

IP(EA), eV:

 -9.66(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[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)CCC4=C3C=CC(=C4)C(=O)O

DOS

IR

Vibrations