Geometry & MOs

Info

ID:	386515
PubChem CID:	134982012
Reduced:	BrOC21H41 (1)
Stoich.:	ABC21D41 (1)
Weight, g/mol:	396.131288
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	0.6
IP(EA), eV:	-9.57(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-diphenylphosphoryl-2-methylsulfanyl-1-phenylbutan-1-ol

Drug info:

PubChemData

Smile

C(CCCCCO)CCCC/C=C\CCCCCCCCCBr

DOS

IR

Vibrations