Geometry & MOs

Info

ID:	8394
PubChem CID:	77112
Reduced:	BrOSN3H10C17 (1)
Stoich.:	ABCD3E10F17 (1)
Weight, g/mol:	382.9728
ΔH_f, kcal/mol:	104.42
Dipole, Da:	5.62
IP(EA), eV:	-8.92(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC4=C(S3)C=C(C=C4)Br)O

DOS

IR

Vibrations