Geometry & MOs

Info

ID:	208368
PubChem CID:	80525789
Reduced:	BrFON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	303.08639
ΔH_f, kcal/mol:	38.29
Dipole, Da:	1.65
IP(EA), eV:	-9.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-benzothiazole-2,6-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C2=C(C(=NO2)N)C3=CC=NC=C3)Br

DOS

IR

Vibrations