Geometry & MOs

Info

ID:	57494
PubChem CID:	22396063
Reduced:	Cl2N3S3O5H15C16 (1)
Stoich.:	A2B3C3D5E15F16 (1)
Weight, g/mol:	504.008026
ΔH_f, kcal/mol:	-144.04
Dipole, Da:	11.92
IP(EA), eV:	-9.3(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC(N1S(=O)(=O)C2=CC(=C(S2)Cl)Cl)C(=O)NC(CC3=CC=NC=C3)C(=O)O

DOS

IR

Vibrations