Geometry & MOs

Info

ID:	352482
PubChem CID:	127283570
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	339.144373
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	10.89
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O)N4C=NC=N4

DOS

IR

Vibrations