Geometry & MOs

Info

ID:	86719
PubChem CID:	49888662
Reduced:	ClNSF3O3H13C22 (1)
Stoich.:	ABCD3E3F13G22 (1)
Weight, g/mol:	481.06538
ΔH_f, kcal/mol:	-189.51
Dipole, Da:	5.46
IP(EA), eV:	-9.12(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations