Geometry & MOs

Info

ID:	79379
PubChem CID:	49748363
Reduced:	SN4O5H26C27 (1)
Stoich.:	AB4C5D26E27 (1)
Weight, g/mol:	539.154863
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	4.35
IP(EA), eV:	-8.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=CC=C5)C=C3

DOS

IR

Vibrations