Geometry & MOs

Info

ID:	269486
PubChem CID:	103617696
Reduced:	ClOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	428.80821
ΔH_f, kcal/mol:	35.34
Dipole, Da:	5.45
IP(EA), eV:	-9.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations