Geometry & MOs

Info

ID:	57459
PubChem CID:	22395977
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	562.00708
ΔH_f, kcal/mol:	-184.89
Dipole, Da:	4.06
IP(EA), eV:	-9.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations