Geometry & MOs

Info

ID:	61730
PubChem CID:	26712225
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	3.08
IP(EA), eV:	-8.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)Cl)OC1

DOS

IR

Vibrations