Geometry & MOs

Info

ID:	27574
PubChem CID:	822252
Reduced:	ON3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	305.013809
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	11.95
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](N(C2=C(N1)NC(=NC2=O)N)C(=O)C3=CN=CC=C3)C

DOS

IR

Vibrations