Geometry & MOs

Info

ID:	423392
PubChem CID:	135119415
Reduced:	SN4O4C12H20 (1)
Stoich.:	AB4C4D12E20 (1)
Weight, g/mol:	346.125275
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	3.96
IP(EA), eV:	-9.55(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CN2C=CC=N2

DOS

IR

Vibrations