Geometry & MOs

Info

ID:	240671
PubChem CID:	93617034
Reduced:	SN3O3C10H17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	259.099063
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	6.91
IP(EA), eV:	-9.36(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,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=CN(N=C2)C

DOS

IR

Vibrations