Geometry & MOs

Info

ID:	153960
PubChem CID:	56313315
Reduced:	SN2F3O4C22H27 (1)
Stoich.:	AB2C3D4E22F27 (1)
Weight, g/mol:	449.175084
ΔH_f, kcal/mol:	-277.22
Dipole, Da:	4.33
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylphenoxy)-N'-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]propanehydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC(C2=CC=CS2)N3CCOCC3)OCC(F)(F)F

DOS

IR

Vibrations