Geometry & MOs

Info

ID:

160953

PubChem CID:

57390351

Reduced:

O3N7H21C24 (1)

Stoich.:

A3B7C21D24 (1)

Weight, g/mol:

502.365825

ΔHf, kcal/mol:

43.4

Dipole, Da:

4.89

IP(EA), eV:

 -8.37(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl (4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC(=C2)C3=NNN=N3)C)/C=C\4/C(=O)N(C(=O)N4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations