Geometry & MOs

Info

ID:	37117
PubChem CID:	8017084
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	354.164009
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	4.18
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC[C@H](C)C(=O)NC1=NC2=C(C=C(C=C2S1)C)C

DOS

IR

Vibrations