Geometry & MOs

Info

ID:	87136
PubChem CID:	49892614
Reduced:	INSCl2O3H12C18 (1)
Stoich.:	ABCD2E3F12G18 (1)
Weight, g/mol:	620.92766
ΔH_f, kcal/mol:	-57.38
Dipole, Da:	3.43
IP(EA), eV:	-9.2(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenoxy]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I

DOS

IR

Vibrations