Geometry & MOs

Info

ID:

313428

PubChem CID:

126614703

Reduced:

Cl3N4O4H18C19 (2)

Stoich.:

A3B4C4D18E19 (2)

Weight, g/mol:

861.288364

ΔHf, kcal/mol:

-184.01

Dipole, Da:

4.53

IP(EA), eV:

 -8.88(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-1-amino-2-(octylamino)ethenyl]-2-hydroxyphenyl]-[4,5-dichloro-1-[4,5-dichloro-2-[4-[(Z)-1-hydrazinyl-2-(octylamino)ethenyl]-2-hydroxybenzoyl]-1H-pyrrol-3-yl]pyrrol-2-yl]methanone

Drug info:

PubChemData

Smile

CCCCOC(=O)CN=C/C(=N\N)/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(=N/N)/C=NCC(=O)OCCCC)O)Cl)Cl)O

DOS

IR

Vibrations