Geometry & MOs

Info

ID:	140134
PubChem CID:	52652719
Reduced:	BrN2S2O3C19H23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	424.085971
ΔH_f, kcal/mol:	-97.02
Dipole, Da:	4.09
IP(EA), eV:	-9.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzylsulfamoyl)ethyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)SCC(=O)NCCS(=O)(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations