Geometry & MOs

Info

ID:	420715
PubChem CID:	135114695
Reduced:	FSN3O5C17H20 (1)
Stoich.:	ABC3D5E17F20 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-215.63
Dipole, Da:	8.18
IP(EA), eV:	-9.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@@H]1O)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)F

DOS

IR

Vibrations