Geometry & MOs

Info

ID:	63527
PubChem CID:	26758557
Reduced:	ClFNO4H19C20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	391.098664
ΔH_f, kcal/mol:	-187.08
Dipole, Da:	2.09
IP(EA), eV:	-9.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-chlorophenyl)methylamino]-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