Geometry & MOs

Info

ID:

46713

PubChem CID:

10526552

Reduced:

O3N4H24C25 (1)

Stoich.:

A3B4C24D25 (1)

Weight, g/mol:

428.365431

ΔHf, kcal/mol:

2.29

Dipole, Da:

1.84

IP(EA), eV:

 -8.78(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S,5S,10S,13R,14R,17R)-17-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C(=O)N/N=C/C1=CN=CC=C1)NC(=O)COC2=CC=C(C=C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations