Geometry & MOs

Info

ID:	351137
PubChem CID:	127279695
Reduced:	NSO5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-206.46
Dipole, Da:	7.33
IP(EA), eV:	-8.49(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C2C(=CC=C1)OCCO2)S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations