Geometry & MOs

Info

ID:	57449
PubChem CID:	22395950
Reduced:	ISCl2N2O5H23C26 (1)
Stoich.:	ABC2D2E5F23G26 (1)
Weight, g/mol:	611.93856
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	2.26
IP(EA), eV:	-9.58(-1.16)
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-iodophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CN(C(C1C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)I)C(=O)O)S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations