Geometry & MOs

Info

ID:	158752
PubChem CID:	56468317
Reduced:	FON3H8C12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	434.13028
ΔH_f, kcal/mol:	17.05
Dipole, Da:	5.83
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C4=NC=C(O4)C5=CC=CC=C5F)F

DOS

IR

Vibrations