Geometry & MOs

Info

ID:	436332
PubChem CID:	135199097
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	425.257751
ΔH_f, kcal/mol:	-114.72
Dipole, Da:	3.18
IP(EA), eV:	-10.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-4-ethyl-3-(4-fluoro-2-methoxyphenyl)hexan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2CCCC2C(=O)N1

DOS

IR

Vibrations