Geometry & MOs

Info

ID:	375657
PubChem CID:	134220576
Reduced:	ON3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	373.053942
ΔH_f, kcal/mol:	24.56
Dipole, Da:	7.77
IP(EA), eV:	-8.32(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-chloro-2-(2-methoxyphenyl)sulfanyl-8-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations