Geometry & MOs

Info

ID:	264007
PubChem CID:	103415490
Reduced:	ON2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	491.79652
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	5.55
IP(EA), eV:	-8.91(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)NCC1=CN(N=N1)CCCOCCOC

DOS

IR

Vibrations