Geometry & MOs

Info

ID:	40375
PubChem CID:	8144012
Reduced:	S2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	397.139488
ΔH_f, kcal/mol:	104.81
Dipole, Da:	5.37
IP(EA), eV:	-8.33(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations