Geometry & MOs

Info

ID:	87143
PubChem CID:	49892631
Reduced:	SCl2N2O5H20C23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	513.020449
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	2.36
IP(EA), eV:	-9.07(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(2-chlorophenyl)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=C(C=C3)Cl)Cl)OCC(=O)NC4CC4

DOS

IR

Vibrations