Geometry & MOs

Info

ID:	67990
PubChem CID:	46507560
Reduced:	OSN3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	484.085971
ΔH_f, kcal/mol:	27.21
Dipole, Da:	6.82
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chloro-4-methylphenyl)sulfonyl-6-methyl-2-oxoquinolin-1-yl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=O)N2)NCC3=CC=CS3

DOS

IR

Vibrations