Geometry & MOs

Info

ID:	40398
PubChem CID:	8144046
Reduced:	SN5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	411.155138
ΔH_f, kcal/mol:	111.93
Dipole, Da:	4.54
IP(EA), eV:	-8.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethylanilino)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations