Geometry & MOs

Info

ID:

45273

PubChem CID:

10510449

Reduced:

NSiO15C65H73 (1)

Stoich.:

ABC15D65E73 (1)

Weight, g/mol:

1077.758748

ΔHf, kcal/mol:

-538.92

Dipole, Da:

9.95

IP(EA), eV:

 -8.99(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=C(C=C3)C)N4C(=O)C5=CC=CC=C5C4=O)OCCCO[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC[Si](C)(C)C)COCC9=CC=CC=C9)CO

DOS

IR

Vibrations