Geometry & MOs

Info

ID:	334364
PubChem CID:	127252916
Reduced:	ClN2O6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	472.115818
ΔH_f, kcal/mol:	-220.25
Dipole, Da:	9.35
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5,6-dihydroxy-8-(4-methoxyphenyl)-4-oxo-2-phenylfuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC(=O)N4CCCC4

DOS

IR

Vibrations