Geometry & MOs

Info

ID:	184211
PubChem CID:	77127065
Reduced:	ClSN3O3C12H16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	409.092824
ΔH_f, kcal/mol:	-113.14
Dipole, Da:	8.08
IP(EA), eV:	-9.84(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4-(methoxymethyl)-3,5,7,11-tetraza-2-azoniatricyclo[7.4.0.02,6]trideca-1,4,6,8,12-pentaen-10-one

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations