Geometry & MOs

Info

ID:	399531
PubChem CID:	135040775
Reduced:	S2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	260.087158
ΔH_f, kcal/mol:	-35.73
Dipole, Da:	7.5
IP(EA), eV:	-9.57(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-hydroxy-4,4-dimethoxy-2-(trifluoromethyl)butanoate

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(S2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations