Geometry & MOs

Info

ID:	214436
PubChem CID:	84982116
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	404.103734
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	1.81
IP(EA), eV:	-8.4(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=CC(=O)NNC(=O)C2=CC=CC=N2)OCC

DOS

IR

Vibrations