Geometry & MOs

Info

ID:	334445
PubChem CID:	127252997
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	554.121297
ΔH_f, kcal/mol:	-178.31
Dipole, Da:	10.25
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-(6-methoxynaphthalen-2-yl)-4-oxofuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=COC4=CC=CC=C4C3=O)O

DOS

IR

Vibrations