Geometry & MOs

Info

ID:

173255

PubChem CID:

75611642

Reduced:

SN2O6H18C21 (1)

Stoich.:

AB2C6D18E21 (1)

Weight, g/mol:

924.129964

ΔHf, kcal/mol:

-132.36

Dipole, Da:

7.05

IP(EA), eV:

 -8.41(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3,5-bis[4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations