Geometry & MOs

Info

ID:	218129
PubChem CID:	85088918
Reduced:	O10H20C21 (1)
Stoich.:	A10B20C21 (1)
Weight, g/mol:	432.095751
ΔH_f, kcal/mol:	-360.71
Dipole, Da:	6.63
IP(EA), eV:	-9.13(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-[hydroxy(methoxy)methylidene]-2,5,7-trioxo-6-phenylpyrano[3,2-c]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC=C(C=C2)O)(C(=O)O)O)O

DOS

IR

Vibrations