Geometry & MOs

Info

ID:	153663
PubChem CID:	56312951
Reduced:	FSN3O5H20C22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	429.160103
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	6.46
IP(EA), eV:	-8.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)NS(=O)(=O)C

DOS

IR

Vibrations