Geometry & MOs

Info

ID:	55839
PubChem CID:	17396643
Reduced:	NSO3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	4.63
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations