Geometry & MOs

Info

ID:	209560
PubChem CID:	80687950
Reduced:	SCl2N3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	293.002575
ΔH_f, kcal/mol:	77.64
Dipole, Da:	4.45
IP(EA), eV:	-9.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)C#N)C2=NC(=C(S2)CCl)Cl

DOS

IR

Vibrations