Geometry & MOs

Info

ID:	45779
PubChem CID:	10517571
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	288.918962
ΔH_f, kcal/mol:	-4.35
Dipole, Da:	2.57
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(4-chlorophenyl)sulfanyl-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CN2C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations