Geometry & MOs

Info

ID:	86806
PubChem CID:	49889461
Reduced:	SCl2N2O4H22C27 (1)
Stoich.:	AB2C2D4E22F27 (1)
Weight, g/mol:	451.94778
ΔH_f, kcal/mol:	-105.61
Dipole, Da:	1.66
IP(EA), eV:	-8.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations