Geometry & MOs

Info

ID:	158812
PubChem CID:	56479345
Reduced:	F2S2N3O4H19C20 (1)
Stoich.:	A2B2C3D4E19F20 (1)
Weight, g/mol:	473.079173
ΔH_f, kcal/mol:	-187.9
Dipole, Da:	5.22
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3OC(F)F

DOS

IR

Vibrations