Geometry & MOs

Info

ID:	376841
PubChem CID:	134222870
Reduced:	O6H22C25 (1)
Stoich.:	A6B22C25 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	3.29
IP(EA), eV:	-9.05(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]-2-(propan-2-ylamino)acetamide

Drug info:

PubChemData

Smile

C1C(O1)CC(COC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)O)C6=CC=CC=C6CO4)O

DOS

IR

Vibrations