Geometry & MOs

Info

ID:	396938
PubChem CID:	135029485
Reduced:	NO3H14C15 (2)
Stoich.:	AB3C14D15 (2)
Weight, g/mol:	460.261671
ΔH_f, kcal/mol:	-194.41
Dipole, Da:	6.33
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2E)-2-(1-acetyl-2-oxoindol-3-ylidene)-3-methoxy-3-oxopropyl]-tributylphosphanium

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2C3(C1=O)CC4=CC5=CC=CC=C5C=C4N(C=C3C(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations