Geometry & MOs

Info

ID:	88085
PubChem CID:	49900760
Reduced:	NSCl2O2H13C21 (1)
Stoich.:	ABC2D2E13F21 (1)
Weight, g/mol:	495.08103
ΔH_f, kcal/mol:	-15.17
Dipole, Da:	3.27
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=C(C=CC=C4Cl)Cl)/SC3=O

DOS

IR

Vibrations