Geometry & MOs

Info

ID:	426783
PubChem CID:	135153861
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	267.989568
ΔH_f, kcal/mol:	0.14
Dipole, Da:	1.97
IP(EA), eV:	-9.32(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-5-methyl-1,3-thiazole-2-carbothioamide

Drug info:

PubChemData

Smile

C1C(CC1N2C3=C(C=C(C=C3)C#N)NC2=O)C(=O)NN

DOS

IR

Vibrations