Geometry & MOs

Info

ID:	237611
PubChem CID:	92720016
Reduced:	ClSO2N3C22H24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	449.214841
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	3.86
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(S)-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CN3CCC[C@H](C3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations