Geometry & MOs

Info

ID:	87242
PubChem CID:	49893415
Reduced:	NSCl2O5H13C22 (1)
Stoich.:	ABC2D5E13F22 (1)
Weight, g/mol:	535.031493
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	2.72
IP(EA), eV:	-9.26(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations