Geometry & MOs

Info

ID:	87305
PubChem CID:	49893925
Reduced:	ClFNSO4H23C27 (1)
Stoich.:	ABCDE4F23G27 (1)
Weight, g/mol:	663.98349
ΔH_f, kcal/mol:	-135.12
Dipole, Da:	5.01
IP(EA), eV:	-8.52(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations