Geometry & MOs

Info

ID:	433691
PubChem CID:	135173831
Reduced:	N2O9C23H46 (1)
Stoich.:	A2B9C23D46 (1)
Weight, g/mol:	532.214427
ΔH_f, kcal/mol:	-418.09
Dipole, Da:	3.06
IP(EA), eV:	-9.63(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOCCOCCOCC(=O)NCCCCOCCOCCOCCOCC(=O)NC

DOS

IR

Vibrations