Geometry & MOs

Info

ID:	64400
PubChem CID:	29199530
Reduced:	FSO2N4C22H28 (1)
Stoich.:	ABC2D4E22F28 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	10.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939058
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(2-oxopyrrolidin-1-yl)-N-phenylbenzamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@@H](CNS(=O)(=O)CC2=CC=C(C=C2)F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations