Geometry & MOs

Info

ID:	240670
PubChem CID:	93617032
Reduced:	ClSN2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	259.099063
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	2.89
IP(EA), eV:	-9.64(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2,6-dimethyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholine

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