Geometry & MOs

Info

ID:	246141
PubChem CID:	103046608
Reduced:	ClFNOSH13C15 (1)
Stoich.:	ABCDEF13G15 (1)
Weight, g/mol:	313.013969
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	5.64
IP(EA), eV:	-8.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=S)N)OCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations