Geometry & MOs

Info

ID:	89645
PubChem CID:	49963261
Reduced:	ClNOSH10C14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	321.08235
ΔH_f, kcal/mol:	18.72
Dipole, Da:	3.35
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-yl-(4-methoxynaphthalen-1-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations