Geometry & MOs

Info

ID:	26429
PubChem CID:	647593
Reduced:	O3N6C26H28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	497.17329
ΔH_f, kcal/mol:	5.71
Dipole, Da:	6.36
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=NN=NN5C6CCCC6

DOS

IR

Vibrations