Geometry & MOs

Info

ID:	414960
PubChem CID:	135087940
Reduced:	O4N5C18H23 (1)
Stoich.:	A4B5C18D23 (1)
Weight, g/mol:	400.154683
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	4.16
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCNC(=O)C2=C(C(=CC=C2)OC)OCC3=CN(CCCC1=O)N=N3

DOS

IR

Vibrations