Geometry & MOs

Info

ID:	38216
PubChem CID:	8028107
Reduced:	FN2S2O3C19H23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-156.11
Dipole, Da:	4.95
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,9bS)-N-[(2S,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N=C2N([C@H]3CS(=O)(=O)C[C@@H]3S2)C4=CC=C(C=C4)F

DOS

IR

Vibrations