Geometry & MOs

Info

ID:	224750
PubChem CID:	85349208
Reduced:	NOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	248.048271
ΔH_f, kcal/mol:	29.13
Dipole, Da:	1.62
IP(EA), eV:	-8.37(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(4-methylphenyl)sulfanylmethyl]propanal

Drug info:

PubChemData

Smile

CON=CC1=C(CCC1)C2=CC=C(C=C2)SC

DOS

IR

Vibrations