Geometry & MOs

Info

ID:

7493

PubChem CID:

73135

Reduced:

Cl2N2O4H22C33 (1)

Stoich.:

A2B2C4D22E33 (1)

Weight, g/mol:

580.095663

ΔHf, kcal/mol:

-22.4

Dipole, Da:

7.99

IP(EA), eV:

 -8.83(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[4-(3-carboxy-4-chlorophenyl)iminocyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C=CC(=NC3=CC(=C(C=C3)Cl)C(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC(=C(C=C5)Cl)C(=O)O

DOS

IR

Vibrations