Geometry & MOs

Info

ID:	394316
PubChem CID:	135022760
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	415.181787
ΔH_f, kcal/mol:	76.78
Dipole, Da:	3.7
IP(EA), eV:	-9.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6,6,6-trifluoro-5-hydroxyhexanoate

Drug info:

PubChemData

Smile

CC(CC(=O)C1=CC=CC=C1)(C2=CC=CC=C2)N=[N+]=[N-]

DOS

IR

Vibrations