Geometry & MOs

Info

ID:

225841

PubChem CID:

87235640

Reduced:

F3N3O5H21C30 (1)

Stoich.:

A3B3C5D21E30 (1)

Weight, g/mol:

585.112325

ΔHf, kcal/mol:

-148.64

Dipole, Da:

3.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.164823

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[2-[1-[3,5-bis(trifluoromethyl)phenyl]-2-oxoindol-3-ylidene]hydrazinyl]-2-hydroxyphenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)N3C4(N3)C=CC5=C(C4=O)C([N+](=O)C=C5)CC6=CC=C(C=C6)C(F)(F)F)O

DOS

IR

Vibrations