Geometry & MOs

Info

ID:	237743
PubChem CID:	92721195
Reduced:	OSF3N3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-148.05
Dipole, Da:	8.74
IP(EA), eV:	-9.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2CC(=O)N3CCC[C@@H]3C4=CC=CS4)C(F)(F)F

DOS

IR

Vibrations