Geometry & MOs

Info

ID:	152692
PubChem CID:	56311723
Reduced:	ClNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	401.090864
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	5.41
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)C3=CC=C(C=C3)OC)Cl

DOS

IR

Vibrations