Geometry & MOs

Info

ID:	87806
PubChem CID:	49897568
Reduced:	SBr2N2O4H12C18 (1)
Stoich.:	AB2C2D4E12F18 (1)
Weight, g/mol:	619.92393
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	4.66
IP(EA), eV:	-8.94(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)O)Br)/SC2=O

DOS

IR

Vibrations