Geometry & MOs

Info

ID:	268117
PubChem CID:	103597940
Reduced:	OSF2N2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	324.119796
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	8.34
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C=CC(=O)NC2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations