Geometry & MOs

Info

ID:	63568
PubChem CID:	26758644
Reduced:	BrFNO4H19C20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	391.098664
ΔH_f, kcal/mol:	-186.41
Dipole, Da:	4.65
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC(=O)C2=CC=C(C=C2)F)Br

DOS

IR

Vibrations