Geometry & MOs

Info

ID:	240669
PubChem CID:	93617031
Reduced:	ClSN2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	314.049191
ΔH_f, kcal/mol:	-78.6
Dipole, Da:	3.23
IP(EA), eV:	-9.66(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations