Geometry & MOs

Info

ID:	236344
PubChem CID:	92712459
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-132.73
Dipole, Da:	3.0
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-N-(4-methylphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3

DOS

IR

Vibrations