Geometry & MOs

Info

ID:	87215
PubChem CID:	49893274
Reduced:	NSCl2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	563.961948
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	6.2
IP(EA), eV:	-8.61(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations