Geometry & MOs

Info

ID:	87590
PubChem CID:	49895664
Reduced:	NSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	523.11233
ΔH_f, kcal/mol:	-73.31
Dipole, Da:	5.43
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C

DOS

IR

Vibrations