Geometry & MOs

Info

ID:	278575
PubChem CID:	103836578
Reduced:	BrNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	292.182064
ΔH_f, kcal/mol:	-118.24
Dipole, Da:	5.32
IP(EA), eV:	-8.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl-methylamino]cyclohexane

Drug info:

PubChemData

Smile

CC(C)(CCO)CNS(=O)(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations