Geometry & MOs

Info

ID:	61742
PubChem CID:	26712346
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	472.085971
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	1.64
IP(EA), eV:	-8.5(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4)OC1

DOS

IR

Vibrations