Geometry & MOs

Info

ID:	304265
PubChem CID:	124500399
Reduced:	ClN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	258.113506
ΔH_f, kcal/mol:	-93.07
Dipole, Da:	1.93
IP(EA), eV:	-9.08(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloropentanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=NC=C(O1)C(C)(C)C)Cl

DOS

IR

Vibrations