Geometry & MOs

Info

ID:	51389
PubChem CID:	12014047
Reduced:	SBr2O2C24H40 (1)
Stoich.:	AB2C2D24E40 (1)
Weight, g/mol:	672.20006
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	2.0
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(4S,5S)-8-(4-bromophenyl)-4,5-dioctoxyocta-1,7-diynyl]benzene

Drug info:

PubChemData

Smile

CCCCCCCCO[C@H]1CC2=C(SC(=C2C[C@@H]1OCCCCCCCC)Br)Br

DOS

IR

Vibrations