Geometry & MOs

Info

ID:	238333
PubChem CID:	92730013
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-164.22
Dipole, Da:	5.43
IP(EA), eV:	-9.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCC[C@@H]3C(=O)NCCC(C)C)C

DOS

IR

Vibrations