Geometry & MOs

Info

ID:	240689
PubChem CID:	93617105
Reduced:	ClSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	3.01
IP(EA), eV:	-9.6(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholine

Drug info:

PubChemData

Smile

C[C@@H]1COCCN1S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations