Geometry & MOs

Info

ID:	414212
PubChem CID:	135087168
Reduced:	OS2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	391.037057
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	3.74
IP(EA), eV:	-8.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-[bis(methylsulfanyl)methylidene]-2H-quinolin-3-one

Drug info:

PubChemData

Smile

CSC(=C1C(=O)CCC2=CC=CC=C21)SC

DOS

IR

Vibrations