Geometry & MOs

Info

ID:	63528
PubChem CID:	26758558
Reduced:	ClFNO4H19C20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	371.153286
ΔH_f, kcal/mol:	-185.8
Dipole, Da:	2.03
IP(EA), eV:	-9.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations