Geometry & MOs

Info

ID:	446885
PubChem CID:	135278455
Reduced:	BrNSO2H18C23 (1)
Stoich.:	ABCD2E18F23 (1)
Weight, g/mol:	344.02121
ΔH_f, kcal/mol:	29.54
Dipole, Da:	3.7
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(4-fluorophenyl)-7-methoxy-1-methylidene-2H-naphthalene

Drug info:

PubChemData

Smile

C1C(CN1)C2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations