Geometry & MOs

Info

ID:	144274
PubChem CID:	53340995
Reduced:	NF3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	365.058549
ΔH_f, kcal/mol:	-278.92
Dipole, Da:	5.67
IP(EA), eV:	-9.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N[C@@H](CC2=CC=C(C=C2)C(F)(F)F)CC(=O)O

DOS

IR

Vibrations