Geometry & MOs

Info

ID:	165264
PubChem CID:	74523906
Reduced:	NS2O3H27C28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	362.123504
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	6.99
IP(EA), eV:	-8.54(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[(3-methylpiperidin-1-ium-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-olate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=C(C=C3)C)OCC4=CC=C(C=C4)C

DOS

IR

Vibrations