Geometry & MOs

Info

ID:	208461
PubChem CID:	80532210
Reduced:	BrClSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	427.93988
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	4.23
IP(EA), eV:	-9.08(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[bromo-(4-tert-butylcyclohexyl)methyl]-3-chlorothiophene

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(C2=CC(=C(S2)Br)Cl)O

DOS

IR

Vibrations