Geometry & MOs

Info

ID:	143227
PubChem CID:	53168443
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-146.56
Dipole, Da:	2.93
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C(=O)N5CCSCC5

DOS

IR

Vibrations