Geometry & MOs

Info

ID:	278592
PubChem CID:	103836615
Reduced:	NSCl2O3C14H21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-148.92
Dipole, Da:	6.22
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-6-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)S(=O)(=O)NCC(C)(C)CCO)C)Cl

DOS

IR

Vibrations