Geometry & MOs

Info

ID:	128466
PubChem CID:	51045464
Reduced:	FSN3O5H20C24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	8.26
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylanilino)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations