Geometry & MOs

Info

ID:	322398
PubChem CID:	126669992
Reduced:	NCl3F3O3H9C11 (1)
Stoich.:	AB3C3D3E9F11 (1)
Weight, g/mol:	326.041125
ΔH_f, kcal/mol:	-298.13
Dipole, Da:	3.1
IP(EA), eV:	-9.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-[methyl-[[4-(methylamino)phenyl]methyl]amino]phenyl] thiohypochlorite

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)NC(=O)OCC(Cl)(Cl)Cl)CO

DOS

IR

Vibrations