Geometry & MOs

Info

ID:	57428
PubChem CID:	22395904
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	470.046998
ΔH_f, kcal/mol:	-141.51
Dipole, Da:	6.85
IP(EA), eV:	-9.67(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations