Geometry & MOs

Info

ID:

327055

PubChem CID:

126688933

Reduced:

NSO8C20H31 (1)

Stoich.:

ABC8D20E31 (1)

Weight, g/mol:

452.158351

ΔHf, kcal/mol:

-392.47

Dipole, Da:

1.62

IP(EA), eV:

 -9.88(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[(2,4-dihydroxyphenyl)methyl-hydroxyamino]methylidene]-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one;N-methylidenehydroxylamine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OCOC(=O)NCCSC(=O)OCOC(=O)C2CCCCC2

DOS

IR

Vibrations