Geometry & MOs

Info

ID:	314429
PubChem CID:	126621794
Reduced:	BrOH9C16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	432.97721
ΔH_f, kcal/mol:	40.31
Dipole, Da:	1.31
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-nitrophenyl)naphtho[2,1-b][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C=CC4=C3C=CC(=C4)Br

DOS

IR

Vibrations