Geometry & MOs

Info

ID:	271694
PubChem CID:	103689105
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-121.09
Dipole, Da:	3.36
IP(EA), eV:	-9.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-methylphenyl)sulfonylmorpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC(=O)OC)S(=O)(=O)C1=C(C=C(C=C1)C#N)C

DOS

IR

Vibrations