Geometry & MOs

Info

ID:

312258

PubChem CID:

126603923

Reduced:

NO2C7H14 (2)

Stoich.:

AB2C7D14 (2)

Weight, g/mol:

1050.8463

ΔHf, kcal/mol:

-221.21

Dipole, Da:

1.31

IP(EA), eV:

 -9.36(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[(2Z)-2-[(2E,4E,6E)-7-[3-(carboxymethyl)-6,8-diiodo-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-4,6-diiodo-1,3-dimethylindol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C(C)(C)N)NCC(C)(C)C(=O)OC

DOS

IR

Vibrations