Geometry & MOs

Info

ID:	86764
PubChem CID:	49888998
Reduced:	ClSN2O3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	587.04021
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	7.28
IP(EA), eV:	-8.65(-0.9)
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-bromo-6-ethoxyphenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations