Geometry & MOs

Info

ID:	87350
PubChem CID:	49894253
Reduced:	SN2O2H22C27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	540.01547
ΔH_f, kcal/mol:	17.13
Dipole, Da:	4.42
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/SC2=O

DOS

IR

Vibrations