Geometry & MOs

Info

ID:	427599
PubChem CID:	135160394
Reduced:	OSN2F3C22H23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	374.214033
ΔH_f, kcal/mol:	-156.84
Dipole, Da:	5.71
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[2-(4,4-dimethylcyclohexyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC(=O)C1CC2=C(C1)C(=CC=C2)SN3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations