Geometry & MOs

Info

ID:	158216
PubChem CID:	56463173
Reduced:	FS2N3O3C23H26 (1)
Stoich.:	AB2C3D3E23F26 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	-116.41
Dipole, Da:	5.71
IP(EA), eV:	-9.4(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[[3-(2-oxopyrrolidin-1-yl)propanoylamino]carbamoyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC2=CC(=CC=C2)S(=O)(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations