Geometry & MOs

Info

ID:	284659
PubChem CID:	104057543
Reduced:	ClSN2O3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	325.02879
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	3.05
IP(EA), eV:	-10.15(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(3-isocyanatopiperidin-1-yl)sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C1CC(=O)CCC1NS(=O)(=O)C2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations