Geometry & MOs

Info

ID:

54885

PubChem CID:

17389483

Reduced:

ClON2H23C24 (1)

Stoich.:

ABC2D23E24 (1)

Weight, g/mol:

662.258793

ΔHf, kcal/mol:

12.22

Dipole, Da:

3.31

IP(EA), eV:

 -8.81(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(Z)-[7-[(8E)-1,6-dihydroxy-8-[[2-(2-hydroxyacetyl)hydrazinyl]methylidene]-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl]-2-hydroxyacetohydrazide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations