Geometry & MOs

Info

ID:	198729
PubChem CID:	79142097
Reduced:	FSN2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	255.071785
ΔH_f, kcal/mol:	5.62
Dipole, Da:	3.36
IP(EA), eV:	-8.53(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)phenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC3=CC(=CC(=C3)C)F

DOS

IR

Vibrations