Geometry & MOs

Info

ID:	436333
PubChem CID:	135199100
Reduced:	FNO5C23H36 (1)
Stoich.:	ABC5D23E36 (1)
Weight, g/mol:	409.262837
ΔH_f, kcal/mol:	-303.85
Dipole, Da:	3.69
IP(EA), eV:	-8.97(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C1=C(C=C(C=C1)F)OC)[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations