Geometry & MOs

Info

ID:	144421
PubChem CID:	53365989
Reduced:	SO4N6C17H18 (1)
Stoich.:	AB4C6D17E18 (1)
Weight, g/mol:	378.071051
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	7.05
IP(EA), eV:	-8.38(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-5-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC2=NC=CS2)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations