Geometry & MOs

Info

ID:	202411
PubChem CID:	79669997
Reduced:	ClSN3O5H10C11 (1)
Stoich.:	ABC3D5E10F11 (1)
Weight, g/mol:	331.002969
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	7.4
IP(EA), eV:	-10.07(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-nitrophenyl)sulfonylmorpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C#N

DOS

IR

Vibrations