Geometry & MOs

Info

ID:	88439
PubChem CID:	49903543
Reduced:	BrSN2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	610.87915
ΔH_f, kcal/mol:	-77.72
Dipole, Da:	3.85
IP(EA), eV:	-8.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-[(2-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations