Geometry & MOs

Info

ID:	390763
PubChem CID:	135000812
Reduced:	SO3C20H28 (1)
Stoich.:	AB3C20D28 (1)
Weight, g/mol:	268.011406
ΔH_f, kcal/mol:	-131.61
Dipole, Da:	2.33
IP(EA), eV:	-8.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(4-chlorophenyl)-3-(trifluoromethyl)dioxolan-3-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)O)CSC[C@H](C3=CC=CC=C3)C(=O)OC)C

DOS

IR

Vibrations