Geometry & MOs

Info

ID:

45169

PubChem CID:

10508652

Reduced:

NO7C41H51 (1)

Stoich.:

AB7C41D51 (1)

Weight, g/mol:

674.543913

ΔHf, kcal/mol:

-285.94

Dipole, Da:

1.05

IP(EA), eV:

 -9.53(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranyloxy]-2-methylsulfanylethenoxy]-bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]borane

Drug info:

PubChemData

Smile

C[C@H]1C/C=C/[C@H]2[C@H]3[C@@]([C@H]([C@@H]4[C@@]2(C(=O)CC[C@@]5([C@@H]1OC(O5)(C)C)C)C(=O)N([C@H]4CC6=CC=CC=C6)C(=O)C7=CC=CC=C7)C)(OC(O3)(C)C)C

DOS

IR

Vibrations