Geometry & MOs

Info

ID:	24017
PubChem CID:	607455
Reduced:	NO2S2H11C17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	325.023121
ΔH_f, kcal/mol:	61.73
Dipole, Da:	3.63
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CC=C(S2)C#CCOC(=O)C3=CC=CS3

DOS

IR

Vibrations