Geometry & MOs

Info

ID:	197275
PubChem CID:	78945989
Reduced:	IN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	284.063092
ΔH_f, kcal/mol:	-4.83
Dipole, Da:	5.88
IP(EA), eV:	-9.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC(=CC=C2)I)C#N

DOS

IR

Vibrations