Geometry & MOs

Info

ID:	334376
PubChem CID:	127252928
Reduced:	ClNO8H20C26 (1)
Stoich.:	ABC8D20E26 (1)
Weight, g/mol:	502.126382
ΔH_f, kcal/mol:	-240.68
Dipole, Da:	5.37
IP(EA), eV:	-9.16(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)/C(=C/NC2=CC3=C(C=C2)OC(=O)C=C3)/C(=O)[C@]14C(=O)C5=C(O4)C(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations