Geometry & MOs

Info

ID:	278539
PubChem CID:	103836436
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	299.155515
ΔH_f, kcal/mol:	-125.24
Dipole, Da:	5.13
IP(EA), eV:	-10.35(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations