Geometry & MOs

Info

ID:	202410
PubChem CID:	79669996
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	331.002969
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	7.23
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-5-nitrophenyl)sulfonylmorpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOC(C2)C#N)N

DOS

IR

Vibrations