Geometry & MOs

Info

ID:	262601
PubChem CID:	103303631
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	282.042312
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	6.98
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[chloro-(2,4,5-trifluorophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene

Drug info:

PubChemData

Smile

CCCNC1=C(N=CC=C1)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations