Geometry & MOs

Info

ID:	319028
PubChem CID:	126654221
Reduced:	NSO4C7H15 (1)
Stoich.:	ABC4D7E15 (1)
Weight, g/mol:	572.29987
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	5.59
IP(EA), eV:	-9.82(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-tert-butyl-4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCOCN1CCCCS1(=O)=O

DOS

IR

Vibrations