Geometry & MOs

Info

ID:	355456
PubChem CID:	127288519
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	8.05
IP(EA), eV:	-9.35(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations