Geometry & MOs

Info

ID:	86648
PubChem CID:	49888235
Reduced:	ClSN2O6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	543.057707
ΔH_f, kcal/mol:	-188.23
Dipole, Da:	1.55
IP(EA), eV:	-8.89(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OCC(=O)N4CCOCC4

DOS

IR

Vibrations