Geometry & MOs

Info

ID:	360376
PubChem CID:	127301021
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	3.78
IP(EA), eV:	-9.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations