Geometry & MOs

Info

ID:

52700

PubChem CID:

12015717

Reduced:

IN2Cl3O14C23H30 (1)

Stoich.:

AB2C3D14E23F30 (1)

Weight, g/mol:

1335.978243

ΔHf, kcal/mol:

-632.39

Dipole, Da:

5.91

IP(EA), eV:

 -10.2(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,10,20-tris(4-hexadecoxyphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@@H]([C@@H]([C@@H]2OC(=O)C)O)C(=O)N)CI)NC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

DOS

IR

Vibrations