Geometry & MOs

Info

ID:	88068
PubChem CID:	49900460
Reduced:	SCl2N2O5H16C20 (1)
Stoich.:	AB2C2D5E16F20 (1)
Weight, g/mol:	541.051749
ΔH_f, kcal/mol:	-148.75
Dipole, Da:	1.8
IP(EA), eV:	-9.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations