Geometry & MOs

Info

ID:	302196
PubChem CID:	124360333
Reduced:	NSO4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	3.54
IP(EA), eV:	-9.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9bS)-2,2-dimethyl-5-oxo-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)O)NC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O

DOS

IR

Vibrations