Geometry & MOs

Info

ID:	15102
PubChem CID:	429531
Reduced:	ClOSN2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	288.012412
ΔH_f, kcal/mol:	43.1
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-1,3-benzothiazol-2-yl)iminomethyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NC2=NC3=C(S2)C=C(C=C3)Cl)O

DOS

IR

Vibrations