Geometry & MOs

Info

ID:	68452
PubChem CID:	46508436
Reduced:	FNSO4H20C24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	317.105193
ΔH_f, kcal/mol:	-108.16
Dipole, Da:	4.33
IP(EA), eV:	-8.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,3-benzodioxol-5-yl)-3-naphthalen-1-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4)OC

DOS

IR

Vibrations