Geometry & MOs

Info

ID:	391595
PubChem CID:	135006875
Reduced:	N4O6C19H22 (1)
Stoich.:	A4B6C19D22 (1)
Weight, g/mol:	487.18173
ΔH_f, kcal/mol:	-162.21
Dipole, Da:	7.68
IP(EA), eV:	-9.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[(3S)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethyl]-1,3-diphenylpropane-1,3-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CC(C2=CC(=C(C=C2)O)[N+](=O)[O-])C3=C(N=CNC3=O)O

DOS

IR

Vibrations