Geometry & MOs

Info

ID:	334294
PubChem CID:	127252846
Reduced:	N2O3H9C10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	550.126382
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	6.94
IP(EA), eV:	-9.46(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-8-(4-phenylphenyl)furo[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

C1[C@H]2CN(C[C@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)C4=CC5=C(C=C4)OCC(=O)N5

DOS

IR

Vibrations