Geometry & MOs

Info

ID:	226595
PubChem CID:	87544314
Reduced:	SF3N4O6H21C22 (1)
Stoich.:	AB3C4D6E21F22 (1)
Weight, g/mol:	470.126498
ΔH_f, kcal/mol:	-304.75
Dipole, Da:	5.61
IP(EA), eV:	-9.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-4-[4-(2,3,4,5,6-pentafluorophenoxy)carbonyl-2-[(E)-prop-1-enyl]phenyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3F)OCC(F)F

DOS

IR

Vibrations