Geometry & MOs

Info

ID:

425613

PubChem CID:

135126955

Reduced:

H3N3O3C5 (1)

Stoich.:

A3B3C3D5 (1)

Weight, g/mol:

1682.680578

ΔHf, kcal/mol:

-40.32

Dipole, Da:

5.87

IP(EA), eV:

-10.69(-1.93)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2E)-2-[(2E)-2-[3-[(E)-2-[1,3-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methoxysulfonyl-3-methylindol-1-ium-2-yl]ethenyl]-2-(4-methoxysulfonylphenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methoxysulfonyl-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Drug info:

PubChemData

Smile

C1=C2C(=NC(=O)NC2=O)NO1

DOS

IR

Vibrations