Geometry & MOs

Info

ID:	86621
PubChem CID:	49887681
Reduced:	NSCl2O4H25C29 (1)
Stoich.:	ABC2D4E25F29 (1)
Weight, g/mol:	530.000921
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	6.25
IP(EA), eV:	-8.87(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations