Geometry & MOs

Info

ID:	208466
PubChem CID:	80532680
Reduced:	OSBr2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	423.91664
ΔH_f, kcal/mol:	-7.39
Dipole, Da:	2.89
IP(EA), eV:	-9.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(4,5-dibromothiophen-2-yl)-2-oxoethyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations