Geometry & MOs

Info

ID:	143228
PubChem CID:	53168444
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-157.41
Dipole, Da:	4.14
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1,2-oxazol-3-yl)-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2CCN(CC2)C(=O)C3CCCO3)C(=O)N4CCSCC4

DOS

IR

Vibrations