Geometry & MOs

Info

ID:	141139
PubChem CID:	52824407
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-107.78
Dipole, Da:	2.86
IP(EA), eV:	-9.02(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-(benzenesulfonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H](C)N(C)C(=O)CNC(=O)CCC1=CC=C(C=C1)C

DOS

IR

Vibrations