Geometry & MOs

Info

ID:

219570

PubChem CID:

85149248

Reduced:

O13C28H32 (1)

Stoich.:

A13B28C32 (1)

Weight, g/mol:

576.210539

ΔHf, kcal/mol:

-499.76

Dipole, Da:

6.06

IP(EA), eV:

 -9.08(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C3=CC4=C(C=CC=C4O3)CCC5=CC=C(C=C5)O)O)O)O)O)(CO)O

DOS

IR

Vibrations