Geometry & MOs

Info

ID:	53037
PubChem CID:	14709441
Reduced:	BrPSH22C27 (1)
Stoich.:	ABCD22E27 (1)
Weight, g/mol:	264.060886
ΔH_f, kcal/mol:	97.92
Dipole, Da:	5.94
IP(EA), eV:	-8.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxynaphtho[1,2-b][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(CC2=CSC3=CC=CC=C32)(C4=CC=CC=C4)(C5=CC=CC=C5)Br

DOS

IR

Vibrations