Geometry & MOs

Info

ID:

214756

PubChem CID:

85083592

Reduced:

N2O11C30H38 (1)

Stoich.:

A2B11C30D38 (1)

Weight, g/mol:

602.293842

ΔHf, kcal/mol:

-410.3

Dipole, Da:

5.23

IP(EA), eV:

 -9.39(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3',6-bis(2,2-dimethylpropanoyloxymethyl)-3'-hydroxy-6-methoxy-2,2-dimethyl-5'-oxospiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,4'-oxolane]-2'-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1COC(=O)C(NC(=O)COCCOCC(=O)NC(C(=O)OCCO1)COCC2=CC=CC=C2)COCC3=CC=CC=C3

DOS

IR

Vibrations