Geometry & MOs

Info

ID:	88060
PubChem CID:	49900350
Reduced:	NSCl4O4H13C24 (1)
Stoich.:	ABC4D4E13F24 (1)
Weight, g/mol:	546.981477
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	3.94
IP(EA), eV:	-9.27(-1.46)
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-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)/SC2=O)Cl

DOS

IR

Vibrations