Geometry & MOs

Info

ID:	39172
PubChem CID:	8139863
Reduced:	OSN4C24H24 (1)
Stoich.:	ABC4D24E24 (1)
Weight, g/mol:	411.054336
ΔH_f, kcal/mol:	79.7
Dipole, Da:	4.4
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(methylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations