Geometry & MOs

Info

ID:	400785
PubChem CID:	135049071
Reduced:	O4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	655.386661
ΔH_f, kcal/mol:	-187.07
Dipole, Da:	3.67
IP(EA), eV:	-10.13(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(1R,2S)-1-[(Z)-1-dicyclohexylboranyloxyprop-1-enoxy]-1-phenylpropan-2-yl]sulfinamoyl]oxy-1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

COC(=O)CCCCCC1C(CCC1=O)C=O

DOS

IR

Vibrations