Geometry & MOs

Info

ID:	89572
PubChem CID:	49962761
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	261.028206
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	3.32
IP(EA), eV:	-8.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-yl-(3-methylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(C3=CC(=C(C=C3)OC)OC)O)C4=CC=CC=C41

DOS

IR

Vibrations