Geometry & MOs

Info

ID:	278398
PubChem CID:	103835329
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	336.05467
ΔH_f, kcal/mol:	-140.29
Dipole, Da:	8.47
IP(EA), eV:	-10.23(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2-hydroxy-2-methylpentyl)-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations