Geometry & MOs

Info

ID:	278263
PubChem CID:	103834449
Reduced:	BrClNSO4C13H19 (1)
Stoich.:	ABCDE4F13G19 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-164.81
Dipole, Da:	4.15
IP(EA), eV:	-9.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-(4-nitrophenyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(CNS(=O)(=O)C1=C(C(=CC(=C1)Cl)Br)OC)O

DOS

IR

Vibrations