Geometry & MOs

Info

ID:	88750
PubChem CID:	49956510
Reduced:	ClSN2O6C23H24 (1)
Stoich.:	ABC2D6E23F24 (1)
Weight, g/mol:	364.071601
ΔH_f, kcal/mol:	-155.62
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)OC)SCC(=O)C3=CC(=C(C=C3)O)O)C.[Cl-]

DOS

IR

Vibrations