Geometry & MOs

Info

ID:	357689
PubChem CID:	127294363
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	363.107519
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	2.1
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-2-phenyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NC(=O)CN3CCOC(C3)C#N

DOS

IR

Vibrations