Geometry & MOs

Info

ID:	322784
PubChem CID:	126671106
Reduced:	NO2C12H27 (1)
Stoich.:	AB2C12D27 (1)
Weight, g/mol:	524.245727
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	2.29
IP(EA), eV:	-9.75(1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C)(C)C(C(C)(C)CON)O

DOS

IR

Vibrations