Geometry & MOs

Info

ID:

313422

PubChem CID:

126614637

Reduced:

Cl3N3O4C19H19 (2)

Stoich.:

A3B3C4D19E19 (2)

Weight, g/mol:

812.174062

ΔHf, kcal/mol:

-261.32

Dipole, Da:

4.77

IP(EA), eV:

 -8.42(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2-cyclohexyliminoethanehydrazonoyl)-2-hydroxyphenyl]-[4,5-dichloro-1-[4,5-dichloro-2-[4-(2-cyclohexyliminoethanehydrazonoyl)-2-hydroxybenzoyl]-1H-pyrrol-3-yl]pyrrol-2-yl]methanone

Drug info:

PubChemData

Smile

CCCCOC(=O)CN/C=C(/C1=CC(=C(C=C1Cl)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=C(C=C(C(=C4)Cl)/C(=C/NCC(=O)OCCCC)/N)O)Cl)Cl)O)\N

DOS

IR

Vibrations