Geometry & MOs

Info

ID:	154185
PubChem CID:	56313588
Reduced:	FN2O2H17C23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	447.116524
ΔH_f, kcal/mol:	33.92
Dipole, Da:	4.97
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations