Geometry & MOs

Info

ID:	203846
PubChem CID:	79881112
Reduced:	OSCl2N2H8C13 (1)
Stoich.:	ABC2D2E8F13 (1)
Weight, g/mol:	303.068255
ΔH_f, kcal/mol:	27.73
Dipole, Da:	4.63
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)OC(=N2)SC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations