Geometry & MOs

Info

ID:	157534
PubChem CID:	56435571
Reduced:	OS3N5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	419.133734
ΔH_f, kcal/mol:	52.47
Dipole, Da:	9.29
IP(EA), eV:	-8.67(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylmorpholin-4-yl)-[1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CN=C(S3)C4=CC=CS4

DOS

IR

Vibrations