Geometry & MOs

Info

ID:

377113

PubChem CID:

134223151

Reduced:

SN3O12H33C43 (1)

Stoich.:

AB3C12D33E43 (1)

Weight, g/mol:

1032.280911

ΔHf, kcal/mol:

-252.85

Dipole, Da:

5.17

IP(EA), eV:

 -8.7(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[(2Z)-2-(3-oxoimidazo[1,2-a]pyridin-2-ylidene)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C=CC(=O)COCOC(=O)/C=C/C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)/C=C/C(=O)OCOC(=O)C=C)/C=N/NC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations