Geometry & MOs

Info

ID:	155277
PubChem CID:	56352861
Reduced:	ClF3O3N4H16C19 (1)
Stoich.:	AB3C3D4E16F19 (1)
Weight, g/mol:	437.098017
ΔH_f, kcal/mol:	-203.77
Dipole, Da:	4.46
IP(EA), eV:	-9.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(CC(=O)NC2=CN=C(C=C2)OC3=CC=C(C=C3)Cl)(C(F)(F)F)O

DOS

IR

Vibrations