Geometry & MOs

Info

ID:	416362
PubChem CID:	135089375
Reduced:	FNSO3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-133.88
Dipole, Da:	5.59
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C(C3=CC=C(C=C3)F)O)C4=C1SC=C4

DOS

IR

Vibrations