Geometry & MOs

Info

ID:	433373
PubChem CID:	135173510
Reduced:	NPO3C8H18 (1)
Stoich.:	ABC3D8E18 (1)
Weight, g/mol:	594.09364
ΔH_f, kcal/mol:	-150.47
Dipole, Da:	4.72
IP(EA), eV:	-9.52(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[[4-(4-bromo-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)but-3-enoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CCOCCCCOP

DOS

IR

Vibrations