Geometry & MOs

Info

ID:	19657
PubChem CID:	569762
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-75.59
Dipole, Da:	3.81
IP(EA), eV:	-10.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-5-oxo-5-phenylpentanenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C(CCC#N)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations