Geometry & MOs

Info

ID:	366735
PubChem CID:	127320264
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	329.152161
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	6.76
IP(EA), eV:	-9.41(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]sulfonylmorpholine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations