Geometry & MOs

Info

ID:	245181
PubChem CID:	99437790
Reduced:	FSO3N4H25C26 (1)
Stoich.:	ABC3D4E25F26 (1)
Weight, g/mol:	453.18009
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	6.3
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylfuran-2-yl)-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)[C@@H](S1)CC2=CC=CC=C2F)C(=O)NCC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations