Geometry & MOs

Info

ID:

377115

PubChem CID:

134223153

Reduced:

SN2O10H28C38 (1)

Stoich.:

AB2C10D28E38 (1)

Weight, g/mol:

841.25166

ΔHf, kcal/mol:

-215.59

Dipole, Da:

3.19

IP(EA), eV:

 -8.94(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(E)-[1,3-benzothiazol-2-yl(propyl)hydrazinylidene]methyl]-4-[2-[4-(oxiran-2-ylmethoxymethoxy)benzoyl]oxyethyl]phenyl] 3,4-bis(oxiran-2-yloxymethoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)OCOC1=CC=C(C=C1)C(=O)OCCC2=C3C(=C(C=C2)OC(=O)C4=CC=C(C=C4)OCOC(=O)C=C)N=C(S3)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations