Geometry & MOs

Info

ID:	334757
PubChem CID:	127253432
Reduced:	ClN3O7C23H24 (1)
Stoich.:	AB3C7D23E24 (1)
Weight, g/mol:	534.116212
ΔH_f, kcal/mol:	-237.47
Dipole, Da:	7.16
IP(EA), eV:	-9.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3,4-dihydroxyphenyl)-8-(3,4-dimethoxyphenyl)-3,5-dihydroxy-4-oxofuro[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)NCC4=CC(=O)N(C(=O)N4C)C

DOS

IR

Vibrations