Geometry & MOs

Info

ID:	165217
PubChem CID:	74519724
Reduced:	OCl2S2N3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	423.053376
ΔH_f, kcal/mol:	61.27
Dipole, Da:	5.13
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=C2C(=O)N(C(=S)S2)CC=C)Cl)CC3=CC=CC=C3Cl

DOS

IR

Vibrations