Geometry & MOs

Info

ID:	302672
PubChem CID:	124391922
Reduced:	NO4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	5.93
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2/C=C\[N+](=O)[O-])OC

DOS

IR

Vibrations