Geometry & MOs

Info

ID:	63526
PubChem CID:	26758552
Reduced:	ClFNO4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	391.098664
ΔH_f, kcal/mol:	-183.16
Dipole, Da:	4.03
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations