Geometry & MOs

Info

ID:	246140
PubChem CID:	103046607
Reduced:	ClFNSO2H13C15 (1)
Stoich.:	ABCDE2F13G15 (1)
Weight, g/mol:	309.039041
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	4.61
IP(EA), eV:	-8.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=S)N)OCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations