Geometry & MOs

Info

ID:	130975
PubChem CID:	51137473
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	379.105623
ΔH_f, kcal/mol:	25.41
Dipole, Da:	6.73
IP(EA), eV:	-9.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN=C(O2)[C@H]3CCN(C3)CC4=CC=CS4

DOS

IR

Vibrations