Geometry & MOs

Info

ID:	56288
PubChem CID:	17424987
Reduced:	OSN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	315.115381
ΔH_f, kcal/mol:	56.89
Dipole, Da:	5.03
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)C#N

DOS

IR

Vibrations