Geometry & MOs

Info

ID:	63540
PubChem CID:	26758580
Reduced:	NF4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	323.153286
ΔH_f, kcal/mol:	-334.64
Dipole, Da:	2.36
IP(EA), eV:	-9.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations