Geometry & MOs

Info

ID:	73736
PubChem CID:	48420150
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	374.050733
ΔH_f, kcal/mol:	12.58
Dipole, Da:	4.93
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=C(C=C2)C(=O)OCCN3C=NC=N3)C#N

DOS

IR

Vibrations