Geometry & MOs

Info

ID:	57500
PubChem CID:	22396105
Reduced:	ClSN2O6C20H21 (1)
Stoich.:	ABC2D6E20F21 (1)
Weight, g/mol:	454.01907
ΔH_f, kcal/mol:	-199.79
Dipole, Da:	2.81
IP(EA), eV:	-9.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNC(C1O)C(=O)C2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations