Geometry & MOs

Info

ID:	213503
PubChem CID:	81063926
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	320.140593
ΔH_f, kcal/mol:	-121.96
Dipole, Da:	5.02
IP(EA), eV:	-8.93(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CSC1=CC=CC=C1

DOS

IR

Vibrations