Geometry & MOs

Info

ID:	280600
PubChem CID:	103850117
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	312.166077
ΔH_f, kcal/mol:	-185.39
Dipole, Da:	4.62
IP(EA), eV:	-9.18(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-3-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN(C1)C(=O)[C@H]2CCCO2

DOS

IR

Vibrations