Geometry & MOs

Info

ID:	40919
PubChem CID:	8144956
Reduced:	ClSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	376.180721
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	5.54
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[4-(2,5-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations