Geometry & MOs

Info

ID:	87222
PubChem CID:	49893329
Reduced:	FNSCl2O3H12C21 (1)
Stoich.:	ABCD2E3F12G21 (1)
Weight, g/mol:	552.937898
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	3.02
IP(EA), eV:	-8.89(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)F

DOS

IR

Vibrations