Geometry & MOs

Info

ID:	205074
PubChem CID:	80051877
Reduced:	ClFNOH9C15 (1)
Stoich.:	ABCDE9F15 (1)
Weight, g/mol:	301.023121
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	5.49
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyridin-4-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)C(=CN2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations