Geometry & MOs

Info

ID:	278161
PubChem CID:	103833775
Reduced:	ClNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	316.109293
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	3.05
IP(EA), eV:	-9.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CCO)NS(=O)(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations