Geometry & MOs

Info

ID:	11643
PubChem CID:	118435
Reduced:	SN2O6C13H18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	330.088557
ΔH_f, kcal/mol:	-163.97
Dipole, Da:	1.09
IP(EA), eV:	-9.84(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl-(3-nitrophenyl)sulfamoyl]hexanoic acid

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)CCCCCC(=O)O

DOS

IR

Vibrations