Geometry & MOs

Info

ID:	439576
PubChem CID:	135229352
Reduced:	FSO2N8C37H37 (1)
Stoich.:	ABC2D8E37F37 (1)
Weight, g/mol:	418.256646
ΔH_f, kcal/mol:	38.33
Dipole, Da:	8.51
IP(EA), eV:	-8.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-4-undecan-6-ylpiperidin-1-yl)-5-pyrimidin-2-yl-1,3-thiazole

Drug info:

PubChemData

Smile

CSC(=CC(=O)NC1=CC2=C(C=C1)NN=C2C3=CC=C(C=C3)F)[C@H]4CCN(C4)CC(=O)C5CCN(CC5)C6=NC=C(C=C6)C7=NC=CC=N7

DOS

IR

Vibrations