Geometry & MOs

Info

ID:	384402
PubChem CID:	134976919
Reduced:	PO3H25C28 (1)
Stoich.:	AB3C25D28 (1)
Weight, g/mol:	395.074502
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	5.4
IP(EA), eV:	-9.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-2-triphenylphosphaniumylethanesulfonate

Drug info:

PubChemData

Smile

CC(=O)CP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations