Geometry & MOs

Info

ID:	57469
PubChem CID:	22396001
Reduced:	SN2Cl4O5H18C20 (1)
Stoich.:	AB2C4D5E18F20 (1)
Weight, g/mol:	514.137399
ΔH_f, kcal/mol:	-192.96
Dipole, Da:	7.15
IP(EA), eV:	-9.4(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-2-[[1-(3-fluorophenyl)sulfonyl-5-phenylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC(=C(C=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations