Geometry & MOs

Info

ID:

45229

PubChem CID:

10509727

Reduced:

SO11C48H56 (1)

Stoich.:

AB11C48D56 (1)

Weight, g/mol:

842.383206

ΔHf, kcal/mol:

-305.81

Dipole, Da:

8.55

IP(EA), eV:

 -9.34(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3-dimethoxy-5-methyl-6-[4-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]cyclohexyl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CCC[C@@H]1C2=CC3=C4C(=C2OCOC5=C(C6=C(C=C15)[C@@H](C7=CC8=C(C(=C7OCO6)CS)OCOC9=C([C@H]8CCC)C=C([C@H]3CCC)C(=C9CO)OCO4)CCC)CO)CO

DOS

IR

Vibrations