Geometry & MOs

Info

ID:	434621
PubChem CID:	135175361
Reduced:	SF2N3O6C40H49 (1)
Stoich.:	AB2C3D6E40F49 (1)
Weight, g/mol:	318.06193
ΔH_f, kcal/mol:	-336.44
Dipole, Da:	7.63
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[(3S)-3-ethylcyclopentyl]oxynaphthalene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)C4=CC=CC=C4)(F)F)NS(=O)(=O)C5=CC=C(C=C5)OCC6CCCCC6

DOS

IR

Vibrations