Geometry & MOs

Info

ID:

377108

PubChem CID:

134223146

Reduced:

Cl2S2N3O6H59C63 (1)

Stoich.:

A2B2C3D6E59F63 (1)

Weight, g/mol:

680.128708

ΔHf, kcal/mol:

-65.19

Dipole, Da:

10.36

IP(EA), eV:

 -8.39(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(7-methyl-1,3-benzothiazol-2-yl)-7-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxy-1,3-benzothiazol-4-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)C4=CC=C(C=C4)C(=O)OC5=C(C(=C(C6=CC=CC=C65)OCCCCCCOCC7(CCC7)C)Cl)/C=N/N(C8=NC9=CC=CC=C9S8)S(=O)(=O)C1=CC=C(C=C1)C)Cl

DOS

IR

Vibrations