Geometry & MOs

Info

ID:

339187

PubChem CID:

127260566

Reduced:

NO2C19H31 (1)

Stoich.:

AB2C19D31 (1)

Weight, g/mol:

304.24023

ΔHf, kcal/mol:

-102.54

Dipole, Da:

2.48

IP(EA), eV:

 -9.72(0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]\4([C@H]3CC/C4=N\O)C)O

DOS

IR

Vibrations