Geometry & MOs

Info

ID:	268109
PubChem CID:	103597908
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	321.11765
ΔH_f, kcal/mol:	-87.19
Dipole, Da:	4.55
IP(EA), eV:	-9.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)OCC2=CC=CC=N2

DOS

IR

Vibrations