Geometry & MOs

Info

ID:	194162
PubChem CID:	78492670
Reduced:	SF2O3N5C17H23 (1)
Stoich.:	AB2C3D5E17F23 (1)
Weight, g/mol:	353.119399
ΔH_f, kcal/mol:	-200.45
Dipole, Da:	7.14
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)C(=S)NC2=CC=C(C=C2)OC(F)F)N

DOS

IR

Vibrations