Geometry & MOs

Info

ID:	416393
PubChem CID:	135089406
Reduced:	FSN3O4C18H20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-153.84
Dipole, Da:	5.14
IP(EA), eV:	-9.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CN=C(C=C2)NCCS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations