Geometry & MOs

Info

ID:	349098
PubChem CID:	127274824
Reduced:	NSO2C7H13 (2)
Stoich.:	ABC2D7E13 (2)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-194.09
Dipole, Da:	4.56
IP(EA), eV:	-8.76(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)CSCC2CCCCO2

DOS

IR

Vibrations