Geometry & MOs

Info

ID:

318679

PubChem CID:

126652686

Reduced:

O4H10C13 (3)

Stoich.:

A4B10C13 (3)

Weight, g/mol:

841.194145

ΔHf, kcal/mol:

-324.35

Dipole, Da:

7.08

IP(EA), eV:

 -9.38(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethoxycarbonyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)CC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OCOC(=O)C=C)C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)OCOC(=O)C=C

DOS

IR

Vibrations