Geometry & MOs

Info

ID:

296814

PubChem CID:

117594498

Reduced:

SN2O7C19H25 (2)

Stoich.:

AB2C7D19E25 (2)

Weight, g/mol:

552.178418

ΔHf, kcal/mol:

-521.62

Dipole, Da:

5.71

IP(EA), eV:

 -9.07(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-hydroxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one;2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1.C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

DOS

IR

Vibrations