Geometry & MOs

Info

ID:

437849

PubChem CID:

135227188

Reduced:

PSN3O3C27H34 (1)

Stoich.:

ABC3D3E27F34 (1)

Weight, g/mol:

1164.374966

ΔHf, kcal/mol:

-89.67

Dipole, Da:

2.73

IP(EA), eV:

 -8.24(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetyloxyethyl 4-[[3-diethoxyphosphoryl-1-[10-[3-diethoxyphosphoryl-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

CCOC(=O)C1=CC2=C(N1P)C(=O)N(C=C2C3=C(C=CC(=C3)SC4CC4)NC5CCC(CC5)C)C

DOS

IR

Vibrations