Geometry & MOs

Info

ID:	67183
PubChem CID:	46506018
Reduced:	S2N3O6C27H33 (1)
Stoich.:	A2B3C6D27E33 (1)
Weight, g/mol:	418.111791
ΔH_f, kcal/mol:	-143.84
Dipole, Da:	4.53
IP(EA), eV:	-8.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-(3,3-diethoxypropyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CS4)OC)OC

DOS

IR

Vibrations