Geometry & MOs

Info

ID:	280714
PubChem CID:	103850871
Reduced:	NSCl2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	2.55
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CSC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations