Geometry & MOs

Info

ID:	365599
PubChem CID:	127318210
Reduced:	FSO2N4C19H27 (1)
Stoich.:	ABC2D4E19F27 (1)
Weight, g/mol:	396.255898
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	4.54
IP(EA), eV:	-8.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(thian-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC1CNC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations