Geometry & MOs

Info

ID:	195662
PubChem CID:	78719544
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	364.091535
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	6.85
IP(EA), eV:	-9.51(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfonylphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC(C)C)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations