Geometry & MOs

Info

ID:

377111

PubChem CID:

134223149

Reduced:

NSO7C43H43 (1)

Stoich.:

ABC7D43E43 (1)

Weight, g/mol:

635.209007

ΔHf, kcal/mol:

-148.38

Dipole, Da:

4.14

IP(EA), eV:

 -8.46(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-ethoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)OC2=C3C(=C(C=C2)OC(=O)C4=CC=C(C=C4)OCCCCCCOC(=C)C=C)SC(=N3)/C=C/C5=CC=C(C=C5)C

DOS

IR

Vibrations