Geometry & MOs

Info

ID:	87736
PubChem CID:	49896902
Reduced:	ClSN2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	574.086843
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	4.19
IP(EA), eV:	-8.92(-1.19)
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-methoxyphenyl] naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations