Geometry & MOs

Info

ID:	368811
PubChem CID:	127330229
Reduced:	N2S2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	4.32
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations