Geometry & MOs

Info

ID:

46946

PubChem CID:

10528582

Reduced:

O3N4H24C29 (1)

Stoich.:

A3B4C24D29 (1)

Weight, g/mol:

476.313789

ΔHf, kcal/mol:

63.57

Dipole, Da:

11.8

IP(EA), eV:

 -8.93(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C(=N)N2CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N1CC5=CC=CC=C5

DOS

IR

Vibrations