Geometry & MOs

Info

ID:

173250

PubChem CID:

75611637

Reduced:

I2N2O3C23H28 (1)

Stoich.:

A2B2C3D23E28 (1)

Weight, g/mol:

689.95125

ΔHf, kcal/mol:

-32.41

Dipole, Da:

7.64

IP(EA), eV:

 -9.0(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-hydroxy-5-[[4-hydroxy-3-[(3-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]methyl]anilino]methylidene]-4-iodocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC=C2C=C(C=C(C2=O)I)I

DOS

IR

Vibrations