Geometry & MOs

Info

ID:	57501
PubChem CID:	22396108
Reduced:	Cl2N2S2O5C16H20 (1)
Stoich.:	A2B2C2D5E16F20 (1)
Weight, g/mol:	438.005527
ΔH_f, kcal/mol:	-206.24
Dipole, Da:	5.73
IP(EA), eV:	-8.39(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations