Geometry & MOs

Info

ID:

191387

PubChem CID:

78141988

Reduced:

O13C29H30 (1)

Stoich.:

A13B29C30 (1)

Weight, g/mol:

1112.364641

ΔHf, kcal/mol:

-484.01

Dipole, Da:

5.31

IP(EA), eV:

 -9.51(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[3-[2-[3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]ethenyl]-4-[[4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]methoxy]phenyl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)COC3=C(C=C(C=C3)C=O)C=O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations