Geometry & MOs

Info

ID:	240668
PubChem CID:	93617029
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	314.049191
ΔH_f, kcal/mol:	-92.72
Dipole, Da:	5.87
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C[C@@H]1COC2=CC=CC=C2O1)S(=O)(=O)C3=CN(N=C3)C

DOS

IR

Vibrations