Geometry & MOs

Info

ID:	165219
PubChem CID:	74519726
Reduced:	OCl2S2N3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	423.00336
ΔH_f, kcal/mol:	66.25
Dipole, Da:	2.65
IP(EA), eV:	-8.94(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-chloro-1-[(4-chlorophenyl)methyl]-3-methylpyrazol-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)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations