Geometry & MOs

Info

ID:	406266
PubChem CID:	135077083
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	346.098728
ΔH_f, kcal/mol:	-132.77
Dipole, Da:	5.28
IP(EA), eV:	-9.92(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-(1,3-benzodioxol-5-yl)propylideneamino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)OCC(=C)C1CCC(=O)N1

DOS

IR

Vibrations