Geometry & MOs

Info

ID:	349711
PubChem CID:	127275863
Reduced:	S2N3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	4.67
IP(EA), eV:	-9.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethylsulfanyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations