Geometry & MOs

Info

ID:	225063
PubChem CID:	85735904
Reduced:	SF3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	234.069006
ΔH_f, kcal/mol:	-145.92
Dipole, Da:	4.29
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-propan-2-ylsulfanyl-1-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCSC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations