Geometry & MOs

Info

ID:	404618
PubChem CID:	135067901
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	370.03686
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	7.58
IP(EA), eV:	-9.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene

Drug info:

PubChemData

Smile

C1CC2C(C23CCOS(=O)(=O)N=C3C1)C4=CC=CC=C4

DOS

IR

Vibrations