Geometry & MOs

Info

ID:

219531

PubChem CID:

85149115

Reduced:

O3N4C13H20 (2)

Stoich.:

A3B4C13D20 (2)

Weight, g/mol:

562.262541

ΔHf, kcal/mol:

-251.63

Dipole, Da:

4.41

IP(EA), eV:

 -9.37(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,9-bis(2,2-dimethylpropanoyloxymethyl)-3,4,9-trihydroxy-2-methoxy-6-oxo-1,7-dioxaspiro[4.4]nonan-8-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)C)CC2=CC=CC=C2)CCCN=C(N)N

DOS

IR

Vibrations