Geometry & MOs

Info

ID:

179882

PubChem CID:

76549420

Reduced:

O5N7H27C37 (1)

Stoich.:

A5B7C27D37 (1)

Weight, g/mol:

663.223017

ΔHf, kcal/mol:

38.24

Dipole, Da:

7.28

IP(EA), eV:

 -8.79(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-4-[[[2-methyl-4-[6-[2-[3-(methylcarbamoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-1,3-benzoxazol-2-yl]phenyl]diazenyl]methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=CC=CC=C2C(=NNC3=CC4=C(C=C3)N=C(O4)C5=CC=C(C=C5)N=NCC6=C(C(=CC7=CC=CC=C76)C(=O)N)O)C1=O

DOS

IR

Vibrations