Geometry & MOs

Info

ID:	152782
PubChem CID:	56311851
Reduced:	NSO7C21H23 (1)
Stoich.:	ABC7D21E23 (1)
Weight, g/mol:	385.095949
ΔH_f, kcal/mol:	-235.79
Dipole, Da:	3.53
IP(EA), eV:	-8.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations