Geometry & MOs

Info

ID:	6416
PubChem CID:	68564
Reduced:	ClNO6H20C27 (1)
Stoich.:	ABC6D20E27 (1)
Weight, g/mol:	489.097915
ΔH_f, kcal/mol:	-160.39
Dipole, Da:	2.96
IP(EA), eV:	-8.68(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-1H-2-benzofuran-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4C5=CC=CC=C5C(=O)O4

DOS

IR

Vibrations