Geometry & MOs

Info

ID:

54886

PubChem CID:

17389484

Reduced:

N2O5C17H19 (2)

Stoich.:

A2B5C17D19 (2)

Weight, g/mol:

680.259462

ΔHf, kcal/mol:

-331.05

Dipole, Da:

3.28

IP(EA), eV:

 -8.68(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(/C(=C\NNC(=O)CO)/C(=O)C(=C2C(C)C)O)C(=C1C3=C(C\4=C(C=C3C)C(=C(C(=O)/C4=C\NNC(=O)CO)O)C(C)C)O)O

DOS

IR

Vibrations