Geometry & MOs

Info

ID:

379643

PubChem CID:

134453346

Reduced:

SN3O7C39H41 (1)

Stoich.:

AB3C7D39E41 (1)

Weight, g/mol:

729.178101

ΔHf, kcal/mol:

-131.39

Dipole, Da:

4.32

IP(EA), eV:

 -8.61(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3,4-di(prop-2-enoyloxy)phenyl]-4-oxobutyl]phenyl] 4-prop-2-enoyloxybenzoate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCOCCOCCOC(=O)C=C)/C=N/NC4=NC5=C(S4)CCC=C5

DOS

IR

Vibrations