Geometry & MOs

Info

ID:	88059
PubChem CID:	49900341
Reduced:	NSCl3O5H16C25 (1)
Stoich.:	ABC3D5E16F25 (1)
Weight, g/mol:	552.92899
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	4.52
IP(EA), eV:	-9.2(-1.22)
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]phenyl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations