Geometry & MOs

Info

ID:	57484
PubChem CID:	22396028
Reduced:	SCl2N3O7H19C20 (1)
Stoich.:	AB2C3D7E19F20 (1)
Weight, g/mol:	629.89498
ΔH_f, kcal/mol:	-172.44
Dipole, Da:	4.2
IP(EA), eV:	-9.98(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])CC(C(=O)O)N

DOS

IR

Vibrations