Geometry & MOs

Info

ID:	73727
PubChem CID:	48420102
Reduced:	SO2N5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	356.040168
ΔH_f, kcal/mol:	83.5
Dipole, Da:	2.74
IP(EA), eV:	-9.05(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)OCCN4C=NC=N4

DOS

IR

Vibrations