Geometry & MOs

Info

ID:	385329
PubChem CID:	134978796
Reduced:	BS2C16H33 (1)
Stoich.:	AB2C16D33 (1)
Weight, g/mol:	282.06193
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	1.6
IP(EA), eV:	-8.63(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-6-bromo-2-ethenyl-1-phenylhexan-1-ol

Drug info:

PubChemData

Smile

B(CC(=C)C)(SCCCCCC)SCCCCCC

DOS

IR

Vibrations