Geometry & MOs

Info

ID:	89644
PubChem CID:	49963260
Reduced:	ClON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	275.017163
ΔH_f, kcal/mol:	18.77
Dipole, Da:	5.04
IP(EA), eV:	-9.13(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C(C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations