Geometry & MOs

Info

ID:	128891
PubChem CID:	51062461
Reduced:	SN2O2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	267.071785
ΔH_f, kcal/mol:	-6.95
Dipole, Da:	6.8
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methylphenyl)sulfanyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=C(C=C3)N)C(=O)O

DOS

IR

Vibrations