Geometry & MOs

Info

ID:	292119
PubChem CID:	114465324
Reduced:	ClON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	0.92
IP(EA), eV:	-8.05(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-benzothiazole-5,6-diamine

Drug info:

PubChemData

Smile

CC(=C)COCCNC1=C(C=C(C=C1)N)Cl

DOS

IR

Vibrations