Geometry & MOs

Info

ID:	40464
PubChem CID:	8144176
Reduced:	SN2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	411.155138
ΔH_f, kcal/mol:	85.41
Dipole, Da:	3.71
IP(EA), eV:	-8.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=S)S1)CN2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations