Geometry & MOs

Info

ID:	136531
PubChem CID:	52057416
Reduced:	ClO2N5C24H34 (1)
Stoich.:	AB2C5D24E34 (1)
Weight, g/mol:	373.169822
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	5.73
IP(EA), eV:	-8.94(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=NC(=NO4)C(C)(C)C

DOS

IR

Vibrations