Geometry & MOs

Info

ID:	139394
PubChem CID:	52521958
Reduced:	SCl2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	345.070261
ΔH_f, kcal/mol:	19.36
Dipole, Da:	4.42
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,6-dimethylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide

Drug info:

PubChemData

Smile

CCCN(CC1CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations