Geometry & MOs

Info

ID:

313427

PubChem CID:

126614701

Reduced:

Cl2N4O4C19H19 (2)

Stoich.:

A2B4C4D19E19 (2)

Weight, g/mol:

944.075776

ΔHf, kcal/mol:

-169.08

Dipole, Da:

9.56

IP(EA), eV:

 -8.73(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl 2-[[(2Z)-2-[4-[1-[2-[4-[2-(2-butoxy-2-oxoethyl)iminoethanehydrazonoyl]-5-chloro-2-hydroxybenzoyl]-4,5-dichloro-1H-pyrrol-3-yl]-4,5-dichloropyrrole-2-carbonyl]-2-chloro-5-hydroxyphenyl]-2-hydrazinylideneethylidene]amino]acetate

Drug info:

PubChemData

Smile

CCCCOC(=O)CN=C/C(=N\N)/C1=CC(=C(C=C1)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=C(C=C(C=C4)/C(=N/N)/C=NCC(=O)OCCCC)O)Cl)Cl)O

DOS

IR

Vibrations