Geometry & MOs

Info

ID:	131673
PubChem CID:	51241022
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-4.21
Dipole, Da:	6.48
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)N)C3=CC=CC(=C3)C

DOS

IR

Vibrations