Geometry & MOs

Info

ID:

391875

PubChem CID:

135010488

Reduced:

ClON2C15H17 (1)

Stoich.:

ABC2D15E17 (1)

Weight, g/mol:

486.280151

ΔHf, kcal/mol:

-13.46

Dipole, Da:

7.99

IP(EA), eV:

 -9.46(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-5-[(1R,2S,4S,5S,6S,7S)-3-oxo-5-prop-1-en-2-yl-4-tricyclo[5.2.1.02,6]dec-8-enyl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCC[C@@]2(C1=O)C[C@@H](C=C2)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations