Geometry & MOs

Info

ID:	432315
PubChem CID:	135172448
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	3.73
IP(EA), eV:	-8.07(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)propyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCO[C@@H]1CCN(C1)C2=CC=C(C=C2)C(C)NC

DOS

IR

Vibrations