Geometry & MOs

Info

ID:	401383
PubChem CID:	135051108
Reduced:	PRuN2O2F6H11C13 (1)
Stoich.:	ABC2D2E6F11G13 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	-150.15
Dipole, Da:	14.55
IP(EA), eV:	-6.82(-2.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenecarbonothioyl)anilino]acetic acid

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2.F[P-](F)(F)(F)(F)F.[Ru+]

DOS

IR

Vibrations