Geometry & MOs

Info

ID:	364852
PubChem CID:	127316301
Reduced:	SO2N3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	399.165034
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	8.17
IP(EA), eV:	-8.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylsulfonylpiperidin-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3CCCN(C3)C(=O)C(C)(C)C

DOS

IR

Vibrations