Geometry & MOs

Info

ID:	349741
PubChem CID:	127275903
Reduced:	ClO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	15.24
Dipole, Da:	3.76
IP(EA), eV:	-9.16(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations