Geometry & MOs

Info

ID:	57388
PubChem CID:	22395814
Reduced:	ISN2O6H25C27 (1)
Stoich.:	ABC2D6E25F27 (1)
Weight, g/mol:	471.042247
ΔH_f, kcal/mol:	-154.92
Dipole, Da:	4.65
IP(EA), eV:	-9.66(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)I)C(=O)NC(CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations