Geometry & MOs

Info

ID:	84026
PubChem CID:	49863426
Reduced:	ON3C16H16 (2)
Stoich.:	AB3C16D16 (2)
Weight, g/mol:	193.067369
ΔH_f, kcal/mol:	52.23
Dipole, Da:	1.68
IP(EA), eV:	-7.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-1,3-benzothiazole-2,6-diamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=C(C=CC(=C3)NCCCCNC4=CC5=C(C=C4)N=C6C=CC(=CC6=C5N)OC)N=C2C=C1)N

DOS

IR

Vibrations