Geometry & MOs

Info

ID:	2689
PubChem CID:	8269
Reduced:	NO5H19C24 (1)
Stoich.:	AB5C19D24 (1)
Weight, g/mol:	401.126323
ΔH_f, kcal/mol:	-136.11
Dipole, Da:	2.98
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C

DOS

IR

Vibrations