Geometry & MOs

Info

ID:	40376
PubChem CID:	8144014
Reduced:	S2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	426.178613
ΔH_f, kcal/mol:	114.9
Dipole, Da:	5.15
IP(EA), eV:	-8.2(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations