Geometry & MOs

Info

ID:	340742
PubChem CID:	127262753
Reduced:	NPSF3O3H27C28 (1)
Stoich.:	ABCD3E3F27G28 (1)
Weight, g/mol:	396.188112
ΔH_f, kcal/mol:	-224.16
Dipole, Da:	11.12
IP(EA), eV:	-8.45(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-(N-(4-methylphenyl)anilino)phenyl]-phenylphosphanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3[P+](C)(C)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations