Geometry & MOs

Info

ID:

437325

PubChem CID:

135223578

Reduced:

N4O33C59H112 (1)

Stoich.:

A4B33C59D112 (1)

Weight, g/mol:

579.203922

ΔHf, kcal/mol:

-1479.63

Dipole, Da:

8.77

IP(EA), eV:

 -8.6(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenyl] 1-O-(4-prop-2-enoyloxybutyl) cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CNC(COCOCCOCCOCCOCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C)(COCOCCOCCOCCOCCOC2C(C(C(C(O2)CO)O)O)NC(=O)C)COCOCCOCCOCCOCCOC3C(C(C(C(O3)CO)O)O)NC(=O)C

DOS

IR

Vibrations