Geometry & MOs

Info

ID:	9978
PubChem CID:	95746
Reduced:	NSO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	243.0354
ΔH_f, kcal/mol:	-19.16
Dipole, Da:	1.5
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-yl)benzene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations