Geometry & MOs

Info

ID:

297

PubChem CID:

2533

Reduced:

O7H19C22 (2)

Stoich.:

A7B19C22 (2)

Weight, g/mol:

790.226156

ΔHf, kcal/mol:

-443.1

Dipole, Da:

4.85

IP(EA), eV:

 -8.64(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,10-dihydroxy-12-[2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl benzoate

Drug info:

PubChemData

Smile

CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)OC(=O)OC6=CC=C(C=C6)O)OC(=O)C7=CC=CC=C7

DOS

IR

Vibrations