Geometry & MOs

Info

ID:

87368

PubChem CID:

49894329

Reduced:

NSO5C30H31 (1)

Stoich.:

ABC5D30E31 (1)

Weight, g/mol:

584.04168

ΔHf, kcal/mol:

-169.75

Dipole, Da:

4.63

IP(EA), eV:

 -8.9(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-bromo-5-ethoxy-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=CC(=C(C=C3)OC(=O)C45CC6CC(C4)CC(C6)C5)OC)/SC2=O

DOS

IR

Vibrations