Geometry & MOs

Info

ID:	320640
PubChem CID:	126662244
Reduced:	ClNSO3F4H20C25 (1)
Stoich.:	ABCD3E4F20G25 (1)
Weight, g/mol:	385.095949
ΔH_f, kcal/mol:	-262.04
Dipole, Da:	4.52
IP(EA), eV:	-8.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[3-benzylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CC2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=C(C=C2)/C=C/C4=C(C=CC=C4Cl)F)O

DOS

IR

Vibrations