Geometry & MOs

Info

ID:	54494
PubChem CID:	17388773
Reduced:	OCl4N4C13H32 (1)
Stoich.:	AB4C4D13E32 (1)
Weight, g/mol:	403.057982
ΔH_f, kcal/mol:	-188.93
Dipole, Da:	2.42
IP(EA), eV:	-8.17(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(3-chloroanilino)methyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(CN2CCN(CC2)C)O.Cl.Cl.Cl.Cl

DOS

IR

Vibrations