Geometry & MOs

Info

ID:

308516

PubChem CID:

125333345

Reduced:

ClSO2N6C18H21 (1)

Stoich.:

ABC2D6E18F21 (1)

Weight, g/mol:

511.044556

ΔHf, kcal/mol:

17.01

Dipole, Da:

5.04

IP(EA), eV:

 -8.8(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(E)-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N=C(N=N1)N2[C@@H](C(=C(N2)C)SCC(=O)NC3=C(C(=CC=C3)Cl)C)C

DOS

IR

Vibrations