Geometry & MOs

Info

ID:	369243
PubChem CID:	127331597
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-24.24
Dipole, Da:	4.88
IP(EA), eV:	-8.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylthiomorpholin-4-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=CN(N=C2C)C)C

DOS

IR

Vibrations