Geometry & MOs

Info

ID:	409792
PubChem CID:	135082577
Reduced:	BClO3C26H40 (1)
Stoich.:	ABC3D26E40 (1)
Weight, g/mol:	408.296638
ΔH_f, kcal/mol:	-242.4
Dipole, Da:	3.27
IP(EA), eV:	-9.26(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-2-[(1S,2R,4S)-1-chloro-2,4-dimethyl-5-methylideneheptyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations