Geometry & MOs

Info

ID:	87176
PubChem CID:	49892902
Reduced:	NCl2O2S2H11C16 (1)
Stoich.:	AB2C2D2E11F16 (1)
Weight, g/mol:	560.997127
ΔH_f, kcal/mol:	-39.09
Dipole, Da:	3.8
IP(EA), eV:	-9.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations