Geometry & MOs

Info

ID:	152783
PubChem CID:	56311852
Reduced:	NSF3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	433.119523
ΔH_f, kcal/mol:	-230.86
Dipole, Da:	6.11
IP(EA), eV:	-8.98(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations