Geometry & MOs

Info

ID:	38180
PubChem CID:	8027845
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-75.39
Dipole, Da:	6.18
IP(EA), eV:	-9.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,9bS)-2,2-dimethyl-5-oxo-N-[(2S)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1CC2=CC=CC=C2C[C@H]1C(=O)O

DOS

IR

Vibrations