Geometry & MOs

Info

ID:	87077
PubChem CID:	49891652
Reduced:	ClFSN2O4H18C24 (1)
Stoich.:	ABCD2E4F18G24 (1)
Weight, g/mol:	469.045393
ΔH_f, kcal/mol:	-143.32
Dipole, Da:	3.69
IP(EA), eV:	-8.93(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations