Geometry & MOs

Info

ID:	138652
PubChem CID:	52401151
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	356.179659
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	6.82
IP(EA), eV:	-8.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl-[(4-ethoxy-3-prop-2-enylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2[C@H]([C@H]1C(=O)N)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations