Geometry & MOs

Info

ID:	61731
PubChem CID:	26712229
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-125.8
Dipole, Da:	6.71
IP(EA), eV:	-8.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(methylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations