Geometry & MOs

Info

ID:

313437

PubChem CID:

126614722

Reduced:

Cl3N3O4H16C17 (2)

Stoich.:

A3B3C4D16E17 (2)

Weight, g/mol:

751.033271

ΔHf, kcal/mol:

-251.75

Dipole, Da:

4.31

IP(EA), eV:

 -8.51(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(Z)-2-amino-2-[4-[1-[2-[4-[2-(carboxymethylimino)ethanehydrazonoyl]-2-hydroxybenzoyl]-4,5-dichloro-1H-pyrrol-3-yl]-4,5-dichloropyrrole-2-carbonyl]-3-hydroxyphenyl]ethenyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN/C=C(/C1=CC(=C(C=C1Cl)C(=O)C2=CC(=C(N2/C(=C(\C(=O)C3=C(C=C(C(=C3)Cl)/C(=C/NCC(=O)OCC)/N)O)/N)/C(=C/Cl)/Cl)Cl)Cl)O)\N

DOS

IR

Vibrations