Geometry & MOs

Info

ID:	27133
PubChem CID:	815281
Reduced:	NOSF3H14C17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	303.09047
ΔH_f, kcal/mol:	-150.11
Dipole, Da:	7.01
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CS[C@H](N1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations