Geometry & MOs

Info

ID:	384624
PubChem CID:	134977349
Reduced:	Na2P2S2N5O9C15H21 (1)
Stoich.:	A2B2C2D5E9F15G21 (1)
Weight, g/mol:	311.047808
ΔH_f, kcal/mol:	-562.6
Dipole, Da:	9.93
IP(EA), eV:	-7.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-chloro-1-(N-phenylanilino)ethyl]phosphonic acid

Drug info:

PubChemData

Smile

C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)/COP(=S)([O-])[O-].[Na+].[Na+]

DOS

IR

Vibrations