Geometry & MOs

Info

ID:	278264
PubChem CID:	103834450
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	325.095949
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	6.81
IP(EA), eV:	-10.56(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(CNS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations