Geometry & MOs

Info

ID:	186922
PubChem CID:	77505981
Reduced:	ClNSO4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	571.115554
ΔH_f, kcal/mol:	-147.21
Dipole, Da:	7.06
IP(EA), eV:	-9.52(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]sulfonyl-1-[5-methyl-2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC(CC1C(=O)O)S(=O)(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations