Geometry & MOs

Info

ID:	269657
PubChem CID:	103618513
Reduced:	ClNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	299.989089
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	2.22
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)C(=O)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations