Geometry & MOs

Info

ID:	186920
PubChem CID:	77505979
Reduced:	ClSF2N2O4C16H19 (1)
Stoich.:	ABC2D2E4F16G19 (1)
Weight, g/mol:	371.095807
ΔH_f, kcal/mol:	-268.38
Dipole, Da:	6.31
IP(EA), eV:	-9.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)sulfonyl-1-cyclohexylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C2=CC(=C(C=C2)S(=O)(=O)C3CC(NC3)C(=O)O)Cl

DOS

IR

Vibrations