Geometry & MOs

Info

ID:	36592
PubChem CID:	8009278
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	377.093309
ΔH_f, kcal/mol:	-160.47
Dipole, Da:	1.76
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-4,5-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations