Geometry & MOs

Info

ID:	378838
PubChem CID:	134224939
Reduced:	ClFO2N6H20C22 (1)
Stoich.:	ABC2D6E20F22 (1)
Weight, g/mol:	205.012826
ΔH_f, kcal/mol:	8.89
Dipole, Da:	4.76
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-fluoro-N-(methylsulfanylmethyl)aniline

Drug info:

PubChemData

Smile

CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)C(CO)C4=CC(=C(CC=C4)Cl)F

DOS

IR

Vibrations