Geometry & MOs

Info

ID:	243742
PubChem CID:	99234530
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-196.97
Dipole, Da:	3.83
IP(EA), eV:	-8.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-methylpropanoyl)-N-[4-(propylsulfonylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)[C@@H]2CC(=O)NC3=CC=CC=C23

DOS

IR

Vibrations