Geometry & MOs

Info

ID:	304267
PubChem CID:	124500403
Reduced:	ClN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	316.07864
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	2.32
IP(EA), eV:	-9.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations