Geometry & MOs

Info

ID:	269658
PubChem CID:	103618516
Reduced:	OSCl2N2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	310.017891
ΔH_f, kcal/mol:	5.94
Dipole, Da:	3.17
IP(EA), eV:	-9.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Cl)C(=O)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations