Geometry & MOs

Info

ID:	57485
PubChem CID:	22396031
Reduced:	ICl2N2S2O6H17C19 (1)
Stoich.:	AB2C2D2E6F17G19 (1)
Weight, g/mol:	452.121749
ΔH_f, kcal/mol:	-202.99
Dipole, Da:	5.41
IP(EA), eV:	-9.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC(N1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC(=C(C=C3)O)I)C(=O)O

DOS

IR

Vibrations