Geometry & MOs

Info

ID:	404280
PubChem CID:	135065651
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	0.64
IP(EA), eV:	-10.24(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/C1C(O1)C)OC(=O)C

DOS

IR

Vibrations