Geometry & MOs

Info

ID:	306091
PubChem CID:	125001627
Reduced:	ClSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	380.134068
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	4.26
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropyl)-5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@@H]2CN(CCO2)C(=O)C3=C(N=CS3)C)CC4=CC=CC=C4Cl

DOS

IR

Vibrations