Geometry & MOs

Info

ID:	342376
PubChem CID:	127265199
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	335.059422
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	4.86
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(3-ethoxypropylsulfamoyl)-3-methylbenzoic acid

Drug info:

PubChemData

Smile

C1CC2(CN(C1)CC=CC3=CC=CC=C3[N+](=O)[O-])OCCO2

DOS

IR

Vibrations