Geometry & MOs

Info

ID:

128907

PubChem CID:

51063305

Reduced:

SN3O3C22H23 (1)

Stoich.:

AB3C3D22E23 (1)

Weight, g/mol:

902.373823

ΔHf, kcal/mol:

-19.58

Dipole, Da:

7.41

IP(EA), eV:

 -9.37(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N'-[(Z)-[7-[(8E)-8-[[2-[2-(3,4-dimethoxyphenyl)acetyl]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

CCCCCCOC1=NC2=CC=CC=C2N=C1C(C#N)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations