Geometry & MOs

Info

ID:	225064
PubChem CID:	85735917
Reduced:	SF3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	248.084656
ΔH_f, kcal/mol:	-164.95
Dipole, Da:	4.7
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-propan-2-ylsulfanyl-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC(C)C)C(F)(F)F

DOS

IR

Vibrations