Geometry & MOs

Info

ID:	226100
PubChem CID:	87323981
Reduced:	FNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	194.076536
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	4.09
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(2-methylphenyl)ethyl] ethanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(C=CC3=C2N=CC=C3)CC=O)F

DOS

IR

Vibrations