Geometry & MOs

Info

ID:	57406
PubChem CID:	22395842
Reduced:	SCl2N2O6C20H20 (1)
Stoich.:	AB2C2D6E20F20 (1)
Weight, g/mol:	471.042247
ΔH_f, kcal/mol:	-228.15
Dipole, Da:	3.43
IP(EA), eV:	-9.36(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

DOS

IR

Vibrations