Geometry & MOs

Info

ID:

54702

PubChem CID:

17389126

Reduced:

Cl2N2O2H18C21 (1)

Stoich.:

A2B2C2D18E21 (1)

Weight, g/mol:

684.189869

ΔHf, kcal/mol:

-10.05

Dipole, Da:

2.7

IP(EA), eV:

 -8.5(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-methoxynaphthalen-2-yl)-N-[(E)-[4-[(E)-[2-(6-methoxynaphthalen-2-yl)propanoylhydrazinylidene]methyl]-2,5-bis(methylsulfanyl)thiophen-3-yl]methylideneamino]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N/N=C/C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations