Geometry & MOs

Info

ID:	157612
PubChem CID:	56436046
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	476.01876
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	5.15
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=NN1C(C)(C)C)C(C)(C)C)OC2=CC=CC=C2

DOS

IR

Vibrations