Geometry & MOs

Info

ID:

88058

PubChem CID:

49900340

Reduced:

NSCl2O5H27C29 (1)

Stoich.:

ABC2D5E27F29 (1)

Weight, g/mol:

546.981477

ΔHf, kcal/mol:

-176.6

Dipole, Da:

3.5

IP(EA), eV:

 -8.93(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)OC(=O)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations