Geometry & MOs

Info

ID:

334742

PubChem CID:

127253417

Reduced:

ClN4O9C35H35 (1)

Stoich.:

AB4C9D35E35 (1)

Weight, g/mol:

548.131862

ΔHf, kcal/mol:

-300.02

Dipole, Da:

5.98

IP(EA), eV:

 -8.68(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-(3,4-dihydroxyphenyl)-8-(4-ethoxy-3-methoxyphenyl)-3,5-dihydroxy-4-oxofuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)OCCN5CCCC5=O)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations