Geometry & MOs

Info

ID:	305456
PubChem CID:	124807325
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	344.122835
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	4.29
IP(EA), eV:	-9.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3aR,6aR)-2-ethylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1C[C@H]2CN(C[C@H]2N1C)C(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations