Geometry & MOs

Info

ID:	236829
PubChem CID:	92714853
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	433.203528
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	5.95
IP(EA), eV:	-9.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-cyclopentylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NS(=O)(=O)C3=CC4=C(CNC4=O)C=C3

DOS

IR

Vibrations