Geometry & MOs

Info

ID:

315575

PubChem CID:

126627778

Reduced:

ON9C21H27 (1)

Stoich.:

AB9C21D27 (1)

Weight, g/mol:

858.240302

ΔHf, kcal/mol:

81.41

Dipole, Da:

5.28

IP(EA), eV:

 -8.26(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[3,5-bis[[[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethoxy]carbonylamino]methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methylcarbamoyloxy]acetyl]oxyethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCC[C@@H](CO)NC1=NC(=NC2=C1N(C=C2)CC3=C(C=CC(=C3)CC4=NNN=N4)C)N

DOS

IR

Vibrations