Geometry & MOs

Info

ID:	406722
PubChem CID:	135078449
Reduced:	BKO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	463.96703
ΔH_f, kcal/mol:	-224.03
Dipole, Da:	9.39
IP(EA), eV:	-8.33(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromo-(4-hexyl-5-methylthiophen-2-yl)-phenyl-lambda3-iodane

Drug info:

PubChemData

Smile

[B-]12(OCC(CO1)(CO2)C)C3=CC=CC=C3.[K+]

DOS

IR

Vibrations