Geometry & MOs

Info

ID:	155499
PubChem CID:	56365835
Reduced:	SN2O6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	396.051083
ΔH_f, kcal/mol:	-69.11
Dipole, Da:	9.24
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1OC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations