Geometry & MOs

Info

ID:	86738
PubChem CID:	49888785
Reduced:	SCl2N2O5H20C26 (1)
Stoich.:	AB2C2D5E20F26 (1)
Weight, g/mol:	543.01399
ΔH_f, kcal/mol:	-122.12
Dipole, Da:	2.19
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-bromophenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)Cl)OCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations