Geometry & MOs

Info

ID:	153656
PubChem CID:	56312942
Reduced:	NSF3O5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	473.138699
ΔH_f, kcal/mol:	-328.89
Dipole, Da:	4.12
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2CCS(=O)(=O)C3=CC=CC=C23)OCC(F)(F)F

DOS

IR

Vibrations