Geometry & MOs

Info

ID:	87187
PubChem CID:	49892960
Reduced:	NSCl2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	534.939554
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	7.09
IP(EA), eV:	-8.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2,6-dichloro-4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations