Geometry & MOs

Info

ID:

377116

PubChem CID:

134223154

Reduced:

SN3O13C43H43 (1)

Stoich.:

AB3C13D43E43 (1)

Weight, g/mol:

1045.293918

ΔHf, kcal/mol:

-288.42

Dipole, Da:

2.6

IP(EA), eV:

 -8.5(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCN(C1=NC2=CC=CC=C2S1)/N=C/C3=C(C=CC(=C3)CCOC(=O)C4=CC=C(C=C4)OCOCC5CO5)OC(=O)C6=CC(=C(C=C6)OCOC7CO7)OCOC8CO8

DOS

IR

Vibrations