Geometry & MOs

Info

ID:	217396
PubChem CID:	85087755
Reduced:	ClON3C20H26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	360.128549
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	7.0
IP(EA), eV:	-9.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(3-fluoroazetidin-1-yl)-2-[4-(4-fluorophenyl)phenyl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CN=CC=C3.Cl

DOS

IR

Vibrations