Geometry & MOs

Info

ID:	86819
PubChem CID:	49889534
Reduced:	NSCl3O3H18C28 (1)
Stoich.:	ABC3D3E18F28 (1)
Weight, g/mol:	516.970912
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	7.02
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)OCC5=CC=CC=C5Cl

DOS

IR

Vibrations