Geometry & MOs

Info

ID:	250885
PubChem CID:	103099709
Reduced:	ClNS2O4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	351.036578
ΔH_f, kcal/mol:	-156.42
Dipole, Da:	9.64
IP(EA), eV:	-9.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(CCN(C1)S(=O)(=O)C2=CC(=C(S2)Cl)C)C(=O)O

DOS

IR

Vibrations