Geometry & MOs

Info

ID:	26387
PubChem CID:	645967
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	3.72
Dipole, Da:	6.38
IP(EA), eV:	-8.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-(N-methylsulfonylanilino)propanamide

Drug info:

PubChemData

Smile

CN1CCC2=NC(=C(C=C2C1)C#N)SCC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations