Geometry & MOs

Info

ID:	60795
PubChem CID:	26702290
Reduced:	SF2N2O5H18C19 (1)
Stoich.:	AB2C2D5E18F19 (1)
Weight, g/mol:	453.105765
ΔH_f, kcal/mol:	-253.96
Dipole, Da:	6.25
IP(EA), eV:	-9.75(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxycarbonylphenyl) 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations