Geometry & MOs

Info

ID:	79373
PubChem CID:	49748303
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-123.29
Dipole, Da:	5.61
IP(EA), eV:	-8.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C3CCC(=O)N3)N(C1)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations