Geometry & MOs

Info

ID:	57490
PubChem CID:	22396037
Reduced:	ClFN2S2O5H18C19 (1)
Stoich.:	ABC2D2E5F18G19 (1)
Weight, g/mol:	737.83521
ΔH_f, kcal/mol:	-212.51
Dipole, Da:	7.31
IP(EA), eV:	-9.44(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations