Geometry & MOs

Info

ID:	306092
PubChem CID:	125001629
Reduced:	O2S2N4C17H24 (1)
Stoich.:	A2B2C4D17E24 (1)
Weight, g/mol:	380.134068
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	4.91
IP(EA), eV:	-9.42(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=NC=C(S1)C2=CN=CC(=N2)[C@@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations