Geometry & MOs

Info

ID:	7419
PubChem CID:	72498
Reduced:	OS4N5H17C22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	495.031595
ΔH_f, kcal/mol:	124.9
Dipole, Da:	2.19
IP(EA), eV:	-8.85(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]pyridine-4-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=S)S2)CN(CN3C4=CC=CC=C4SC3=S)NC(=O)C5=CC=NC=C5

DOS

IR

Vibrations