Geometry & MOs

Info

ID:

127853

PubChem CID:

51019409

Reduced:

Cl2N5O5H19C21 (1)

Stoich.:

A2B5C5D19E21 (1)

Weight, g/mol:

440.256274

ΔHf, kcal/mol:

-79.65

Dipole, Da:

9.29

IP(EA), eV:

 -9.46(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,6S,7S,8S,9R,13R)-13-hydroxy-9,13-dimethyl-3-methylidene-12-oxo-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl] benzoate

Drug info:

PubChemData

Smile

CCN(CC)[C@@]12C3=C(N=C(C=C3[C@](O1)(N4N2C(=O)N(C4=O)C5=CC=CC=C5)C(=O)OC)Cl)Cl

DOS

IR

Vibrations