Geometry & MOs

Info

ID:	88245
PubChem CID:	49902576
Reduced:	NSCl3O3H16C24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	543.01399
ΔH_f, kcal/mol:	-53.77
Dipole, Da:	5.81
IP(EA), eV:	-9.32(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations