Geometry & MOs

Info

ID:	278529
PubChem CID:	103836397
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-125.35
Dipole, Da:	8.31
IP(EA), eV:	-9.75(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-hydroxyethyl)pentylsulfamoyl-methylamino]methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations