Geometry & MOs

Info

ID:	87053
PubChem CID:	49891317
Reduced:	ClNSO3H14C21 (1)
Stoich.:	ABCD3E14F21 (1)
Weight, g/mol:	480.94809
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	5.98
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)NC(=O)S3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations