Geometry & MOs

Info

ID:	16740
PubChem CID:	476186
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-5.98
Dipole, Da:	5.05
IP(EA), eV:	-8.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)-1,2-diethylguanidine

Drug info:

PubChemData

Smile

CCN=C(NC1=CC=C(C=C1)OCC)N(CC)C2=NC3=C(S2)C=C(C=C3)OCC

DOS

IR

Vibrations