Geometry & MOs

Info

ID:	208442
PubChem CID:	80530977
Reduced:	BrClNOSC15H17 (1)
Stoich.:	ABCDEF15G17 (1)
Weight, g/mol:	323.92226
ΔH_f, kcal/mol:	6.07
Dipole, Da:	2.34
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-4-chlorothiophen-2-yl)-3-methyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CNC(CCC1=CC=C(C=C1)OC)C2=CC(=C(S2)Br)Cl

DOS

IR

Vibrations