Geometry & MOs

Info

ID:	59696
PubChem CID:	24893994
Reduced:	N4O9C16H28 (1)
Stoich.:	A4B9C16D28 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-313.92
Dipole, Da:	4.9
IP(EA), eV:	-9.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-amino-1-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one

Drug info:

PubChemData

Smile

CCN(CC)/[N+](=N/O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)N)/[O-]

DOS

IR

Vibrations