Geometry & MOs

Info

ID:	390910
PubChem CID:	135001551
Reduced:	NOBr3C4H8 (1)
Stoich.:	ABC3D4E8 (1)
Weight, g/mol:	474.334525
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	7.34
IP(EA), eV:	-9.78(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(3R,5S,10S,13R,14S,17R)-10,13-dimethyl-3-(oxan-2-yloxy)-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC1.Br.BrBr

DOS

IR

Vibrations