Geometry & MOs

Info

ID:	278448
PubChem CID:	103835804
Reduced:	BrNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-119.12
Dipole, Da:	5.94
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNS(=O)(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations