Geometry & MOs

Info

ID:	182060
PubChem CID:	76834840
Reduced:	FNCl2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	355.054212
ΔH_f, kcal/mol:	-108.76
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.130620
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(CCC(=O)O)C2=CC(=C(C=C2)F)Cl)[NH3+])Cl

DOS

IR

Vibrations