Geometry & MOs

Info

ID:

193600

PubChem CID:

78412266

Reduced:

O9C42H62 (1)

Stoich.:

A9B42C62 (1)

Weight, g/mol:

600.08723

ΔHf, kcal/mol:

-413.11

Dipole, Da:

6.16

IP(EA), eV:

 -9.46(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-(2-bromoethenyl)-2,4-dioxo-1,3-diazinan-1-yl]-2-[(8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC(=O)OCC1=CC2C3C(C3(C(C(C2(C4C=C(C(=O)C4(C1)O)C)O)C)OC(=O)C)OC(=O)C)(C)C

DOS

IR

Vibrations