Geometry & MOs

Info

ID:	357229
PubChem CID:	127293733
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-125.09
Dipole, Da:	4.35
IP(EA), eV:	-8.36(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations