Geometry & MOs

Info

ID:	346554
PubChem CID:	127271058
Reduced:	ClS2N3O4C11H14 (1)
Stoich.:	AB2C3D4E11F14 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	1.98
IP(EA), eV:	-9.59(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-5-oxopyrrolidin-3-yl)-4-(thiomorpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)CNS(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations