Geometry & MOs

Info

ID:	177787
PubChem CID:	76230284
Reduced:	SCl2N3O3C18H19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	487.117039
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	5.9
IP(EA), eV:	-9.16(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations