Geometry & MOs

Info

ID:	270428
PubChem CID:	103636551
Reduced:	ClNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	377.8996
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	3.37
IP(EA), eV:	-9.25(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations