Geometry & MOs

Info

ID:	153385
PubChem CID:	56312573
Reduced:	N2F3O4C23H35 (1)
Stoich.:	A2B3C4D23E35 (1)
Weight, g/mol:	454.136257
ΔH_f, kcal/mol:	-328.28
Dipole, Da:	4.48
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-benzylsulfonylpropyl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CCC1=CC(=C(C=C1)OCC(F)(F)F)OC)N2CCOCC2

DOS

IR

Vibrations