Geometry & MOs

Info

ID:	416478
PubChem CID:	135089493
Reduced:	FN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	375.159434
ΔH_f, kcal/mol:	-78.33
Dipole, Da:	2.73
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC3=C(OC(=N3)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations