Geometry & MOs

Info

ID:	278446
PubChem CID:	103835772
Reduced:	BrNSCl2O3C13H16 (1)
Stoich.:	ABCD2E3F13G16 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	-125.54
Dipole, Da:	5.19
IP(EA), eV:	-10.13(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNS(=O)(=O)C2=C(C=C(C=C2Cl)Br)Cl

DOS

IR

Vibrations