Geometry & MOs

Info

ID:	376893
PubChem CID:	134222925
Reduced:	NCl6O7C12H13 (1)
Stoich.:	AB6C7D12E13 (1)
Weight, g/mol:	577.146612
ΔH_f, kcal/mol:	-342.43
Dipole, Da:	4.53
IP(EA), eV:	-10.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-[[4-(2,2-dichloroacetyl)phenyl]methoxy]-6-oxohexyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CC(=O)NC(COC(=O)C(Cl)Cl)(COC(=O)C(Cl)Cl)COC(=O)C(Cl)Cl

DOS

IR

Vibrations