Geometry & MOs

Info

ID:	405530
PubChem CID:	135074318
Reduced:	PO10C59H61 (1)
Stoich.:	AB10C59D61 (1)
Weight, g/mol:	233.2288
ΔH_f, kcal/mol:	-282.98
Dipole, Da:	9.93
IP(EA), eV:	-9.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

bis(diethyloxonio)boranyl-diethyloxidanium

Drug info:

Smile

C1[C@@H]([C@@H]([C@H](OC1O)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)P(=O)(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations