Geometry & MOs

Info

ID:

392980

PubChem CID:

135018762

Reduced:

O6H20C27 (1)

Stoich.:

A6B20C27 (1)

Weight, g/mol:

440.125988

ΔHf, kcal/mol:

-149.2

Dipole, Da:

6.19

IP(EA), eV:

 -8.79(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,11R,12R)-21-oxo-12-phenyl-9,13,22-trioxapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15,17,19-heptaene-11-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@]12COC3=CC=CC=C3[C@@H]1C4=C(C5=CC=CC=C5OC4=O)O[C@@H]2C6=CC=CC=C6

DOS

IR

Vibrations