Geometry & MOs

Info

ID:	136474
PubChem CID:	52048398
Reduced:	FSO2N4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	482.232934
ΔH_f, kcal/mol:	-33.68
Dipole, Da:	5.81
IP(EA), eV:	-8.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@H](C3)C(=O)NCC4=CC=C(C=C4)SC)F

DOS

IR

Vibrations