Geometry & MOs

Info

ID:

1643

PubChem CID:

4809

Reduced:

N4O6C33H40 (1)

Stoich.:

A4B6C33D40 (1)

Weight, g/mol:

588.294785

ΔHf, kcal/mol:

-203.82

Dipole, Da:

7.11

IP(EA), eV:

 -8.63(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1C(C(=O)NC1=CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CC)N3)C)CCC(=O)O)CCC(=O)O)C)C

DOS

IR

Vibrations