Geometry & MOs

Info

ID:	334580
PubChem CID:	127253255
Reduced:	N4O6C21H24 (1)
Stoich.:	A4B6C21D24 (1)
Weight, g/mol:	500.110732
ΔH_f, kcal/mol:	-161.83
Dipole, Da:	9.79
IP(EA), eV:	-8.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[8-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dihydroxy-4-oxo-2-phenylfuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCC2=NN(C=N2)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations