Geometry & MOs

Info

ID:

219983

PubChem CID:

85165112

Reduced:

O17C27H30 (1)

Stoich.:

A17B27C30 (1)

Weight, g/mol:

626.226431

ΔHf, kcal/mol:

-627.85

Dipole, Da:

5.92

IP(EA), eV:

 -8.92(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[12-benzoyl-11-oxo-7-(phenylmethoxycarbonylamino)spiro[3,5,10-trioxa-12-azatricyclo[7.3.0.02,6]dodecane-4,1'-cyclohexane]-8-yl] benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=COC(=O)C2(C3C(C4C2O4)C(=COC3OC5C(C(C(C(O5)CO)O)O)O)C(=O)OC)O)C(=O)O)O

DOS

IR

Vibrations