Geometry & MOs

Info

ID:

298921

PubChem CID:

117664369

Reduced:

ON5H27C28 (1)

Stoich.:

AB5C27D28 (1)

Weight, g/mol:

700.340004

ΔHf, kcal/mol:

87.93

Dipole, Da:

3.83

IP(EA), eV:

 -8.68(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-methoxy-2-methoxycarbonyl-6-(3-methylbut-3-enyl)-3-[(E)-2-phenylprop-1-enyl]phenyl] 2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-[(E)-2-phenylprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

C1CC(CNC1)OC2=NC(=CN=C2)C3=CNC4=C3C=C(C=C4)C5=CC(=CC=C5)C6(CCC6)C#N

DOS

IR

Vibrations