Geometry & MOs

Info

ID:	158748
PubChem CID:	56468309
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	411.159434
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	2.63
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(propylcarbamoylamino)phenyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

Drug info:

PubChemData

Smile

C1CCC(C1)SC2=CC=CC=C2NC(=O)N3CCC(C3)NC4=CC=CC=C4

DOS

IR

Vibrations