Geometry & MOs

Info

ID:	16329
PubChem CID:	464584
Reduced:	OSN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-1.54
Dipole, Da:	2.51
IP(EA), eV:	-8.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(3,5-dimethylphenyl)sulfanyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2=C(C(=O)NC3=CC=CC=C32)N)C

DOS

IR

Vibrations