Geometry & MOs

Info

ID:	271403
PubChem CID:	103675042
Reduced:	NBr2O2S2C13H17 (1)
Stoich.:	AB2C2D2E13F17 (1)
Weight, g/mol:	310.08097
ΔH_f, kcal/mol:	-63.2
Dipole, Da:	6.28
IP(EA), eV:	-8.48(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(3-methylsulfanylcyclohexyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br

DOS

IR

Vibrations