Geometry & MOs

Info

ID:	196236
PubChem CID:	78800482
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	-95.35
Dipole, Da:	4.68
IP(EA), eV:	-9.48(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CS2)O

DOS

IR

Vibrations