Geometry & MOs

Info

ID:	88124
PubChem CID:	49901739
Reduced:	NSCl3O4H20C26 (1)
Stoich.:	ABC3D4E20F26 (1)
Weight, g/mol:	563.961948
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	4.63
IP(EA), eV:	-8.76(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations