Geometry & MOs

Info

ID:

398955

PubChem CID:

135036557

Reduced:

NO2C21H25 (1)

Stoich.:

AB2C21D25 (1)

Weight, g/mol:

502.275066

ΔHf, kcal/mol:

-70.18

Dipole, Da:

2.21

IP(EA), eV:

 -8.78(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-trimethylsilylethyl (3S,4aR,6S,7R,8aR)-3-hydroxy-2,2,6,7-tetramethyl-5-methylidene-4-oxo-6-(phenylmethoxymethyl)-3,7,8,8a-tetrahydrochromene-4a-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations