Geometry & MOs

Info

ID:

437867

PubChem CID:

135227206

Reduced:

SO2N4C24H32 (1)

Stoich.:

AB2C4D24E32 (1)

Weight, g/mol:

1144.385137

ΔHf, kcal/mol:

-34.32

Dipole, Da:

7.0

IP(EA), eV:

 -8.55(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylprop-2-enoyloxy)ethyl 4-[[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]-3-[ethoxy(methyl)phosphanyl]-2-thiabicyclo[2.2.1]hept-5-en-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)S(=N)(=O)C1=CC(=C(C=C1)NC2CCCCCC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations