Geometry & MOs

Info

ID:	240688
PubChem CID:	93617103
Reduced:	ClSN3O3C14H18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	300.033541
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	4.45
IP(EA), eV:	-9.08(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C[C@@H](CNS(=O)(=O)C1=CC(=C(C=C1)C#N)Cl)N2CCOCC2

DOS

IR

Vibrations