Geometry & MOs

Info

ID:	88006
PubChem CID:	49899625
Reduced:	NSCl3O4H14C24 (1)
Stoich.:	ABC3D4E14F24 (1)
Weight, g/mol:	527.036099
ΔH_f, kcal/mol:	-91.58
Dipole, Da:	4.14
IP(EA), eV:	-9.47(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations