Geometry & MOs

Info

ID:	152691
PubChem CID:	56311722
Reduced:	SN2F3O4C19H19 (1)
Stoich.:	AB2C3D4E19F19 (1)
Weight, g/mol:	365.085242
ΔH_f, kcal/mol:	-267.44
Dipole, Da:	6.22
IP(EA), eV:	-8.81(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations