Geometry & MOs

Info

ID:	198728
PubChem CID:	79142096
Reduced:	BrFSN2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	272.078348
ΔH_f, kcal/mol:	21.57
Dipole, Da:	4.71
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations