Geometry & MOs

Info

ID:	327689
PubChem CID:	126690750
Reduced:	NO7H21C24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	433.116152
ΔH_f, kcal/mol:	-210.44
Dipole, Da:	6.01
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(propan-2-yloxycarbonylamino)benzoic acid

Drug info:

PubChemData

Smile

CNC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)OC)OC5=C3C=CC(=C5)OCOCO)OC2=O

DOS

IR

Vibrations