Geometry & MOs

Info

ID:	201264
PubChem CID:	79517049
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	5.51
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-N-(1-imidazol-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)N

DOS

IR

Vibrations