Geometry & MOs

Info

ID:	396965
PubChem CID:	135029520
Reduced:	ClO2C8H9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	665.371949
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	1.41
IP(EA), eV:	-10.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-2-[1-acetyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-2-oxoindol-3-yl]-3-methoxy-3-oxoprop-1-enyl]-tributylphosphanium

Drug info:

PubChemData

Smile

CCOC(=O)C#C/C=C/CCl

DOS

IR

Vibrations