Geometry & MOs

Info

ID:

215782

PubChem CID:

85085251

Reduced:

NCl2O39C88H123 (1)

Stoich.:

AB2C39D88E123 (1)

Weight, g/mol:

1901.849437

ΔHf, kcal/mol:

-1688.25

Dipole, Da:

3.94

IP(EA), eV:

 -9.19(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[6-[6-[6-[6-[3-[4-[15-(4-decoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenoxy]propoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC(C)CCC(C1=C(C=CC(=C1)C)C=CCC(=O)O)ONC2(CC(OC(C2OC)C)OC3CC(OC(C3OC(=O)C4=C(C(=C(C(=C4OC)Cl)O)Cl)C)C)OC5C(OC6(CC5O)OC7C(OC(C(C7(O6)C)O)OC8C(C(OC(C8OC)C)OC9C(OC(C(C9O)OC)OC1C(C2C(CO1)OC1(O2)C2C(C(CO1)OC(=O)C1=C(C=C(C=C1C)O)O)OCO2)O)COC)O)C)C)C

DOS

IR

Vibrations