Geometry & MOs

Info

ID:

437338

PubChem CID:

135225191

Reduced:

O4C13H22 (1)

Stoich.:

A4B13C22 (1)

Weight, g/mol:

1104.353837

ΔHf, kcal/mol:

-185.4

Dipole, Da:

3.92

IP(EA), eV:

-10.05(-0.09)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-acetyloxyethyl 4-[[3-[ethoxy(methyl)phosphoryl]-1-[10-[3-[ethoxy(methyl)phosphoryl]-3-[[4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phenyl]methylsulfanyl]-2-thiabicyclo[2.2.1]hept-5-en-1-yl]decyl]-2-thiabicyclo[2.2.1]hept-5-en-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1(CCCCC1OCOC)C

DOS

IR

Vibrations