Geometry & MOs

Info

ID:	165265
PubChem CID:	74523997
Reduced:	OS2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	33.76
Dipole, Da:	11.98
IP(EA), eV:	-7.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[furan-2-yl-(3-methylpiperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-olate

Drug info:

PubChemData

Smile

CCC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)[NH+]4CCCC(C4)C)[O-]

DOS

IR

Vibrations