Geometry & MOs

Info

ID:	409788
PubChem CID:	135082573
Reduced:	BClNO3C27H39 (1)
Stoich.:	ABCD3E27F39 (1)
Weight, g/mol:	576.34109
ΔH_f, kcal/mol:	-212.27
Dipole, Da:	4.44
IP(EA), eV:	-9.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-2-[(1R,2R)-2-methyl-1-phenylmethoxy-3-trityloxypropyl]-4,5-di(propan-2-yl)-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]([C@@H](CC(C)C#N)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations