Geometry & MOs

Info

ID:	61739
PubChem CID:	26712283
Reduced:	ClNSO5H16C17 (1)
Stoich.:	ABCD5E16F17 (1)
Weight, g/mol:	482.05111
ΔH_f, kcal/mol:	-157.01
Dipole, Da:	4.29
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl

DOS

IR

Vibrations