Geometry & MOs

Info

ID:	317687
PubChem CID:	126645022
Reduced:	BrNF3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	319.006992
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	6.18
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)N2C=C(C3=C2C=CC(=C3)C(F)(F)F)C

DOS

IR

Vibrations