Geometry & MOs

Info

ID:	262359
PubChem CID:	103288166
Reduced:	NSCl3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	311.054691
ΔH_f, kcal/mol:	30.34
Dipole, Da:	0.77
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-4-ethoxy-5-fluoroaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCC2=C(C=CC(=N2)Cl)Cl)Cl

DOS

IR

Vibrations