Geometry & MOs

Info

ID:	334964
PubChem CID:	127253770
Reduced:	N3O8C36H37 (1)
Stoich.:	A3B8C36D37 (1)
Weight, g/mol:	481.079766
ΔH_f, kcal/mol:	-253.4
Dipole, Da:	8.26
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[3-(4-hydroxy-2-oxochromen-3-yl)-4-oxofuro[3,2-c]chromen-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)C6=CC(=C(C=C6)O)OC)O

DOS

IR

Vibrations