Geometry & MOs

Info

ID:	209608
PubChem CID:	80693916
Reduced:	FOSN3C6H8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	239.039183
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	6.27
IP(EA), eV:	-9.52(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoroethylsulfanyl)-5-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1=C(NC(=NC1=O)SCCF)N

DOS

IR

Vibrations