Geometry & MOs

Info

ID:	68052
PubChem CID:	46507668
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	369.078327
ΔH_f, kcal/mol:	64.12
Dipole, Da:	5.25
IP(EA), eV:	-8.39(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(/C(=N/NC3=CC=CC=C3)/O2)C(=S)N

DOS

IR

Vibrations