Geometry & MOs

Info

ID:	57404
PubChem CID:	22395838
Reduced:	Cl2S2N4O6C21H24 (1)
Stoich.:	A2B2C4D6E21F24 (1)
Weight, g/mol:	590.104513
ΔH_f, kcal/mol:	-208.43
Dipole, Da:	6.2
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-[2-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1-(2-methoxyphenyl)-2-oxoethyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)N(CS(=O)(=O)NS(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(CC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations