Geometry & MOs

Info

ID:	238328
PubChem CID:	92730004
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-172.34
Dipole, Da:	7.25
IP(EA), eV:	-9.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-methylbutyl)-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations