Geometry & MOs

Info

ID:

45000

PubChem CID:

10507096

Reduced:

SiO4C36H36 (1)

Stoich.:

AB4C36D36 (1)

Weight, g/mol:

561.215138

ΔHf, kcal/mol:

-121.54

Dipole, Da:

1.97

IP(EA), eV:

 -8.7(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3aS,4R,9aR)-2-benzoyl-6-benzoyloxy-3-benzyl-7-methoxy-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindole-4-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(/O[Si](O/C(=C\C)/C1=CC=CC=C1)(O/C(=C\C)/C2=CC=CC=C2)O/C(=C\C)/C3=CC=CC=C3)\C4=CC=CC=C4

DOS

IR

Vibrations