Geometry & MOs

Info

ID:	278247
PubChem CID:	103834339
Reduced:	FSN2O5C12H17 (1)
Stoich.:	ABC2D5E12F17 (1)
Weight, g/mol:	305.085242
ΔH_f, kcal/mol:	-168.23
Dipole, Da:	2.91
IP(EA), eV:	-10.44(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-hydroxy-4-methylpentyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations