Geometry & MOs

Info

ID:

181242

PubChem CID:

76720143

Reduced:

ClO2N5H24C31 (1)

Stoich.:

AB2C5D24E31 (1)

Weight, g/mol:

690.335343

ΔHf, kcal/mol:

69.1

Dipole, Da:

1.95

IP(EA), eV:

 -9.0(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-aminopropyl)-5-[5-[[[2-[1-(3-aminopropyl)-2,4-dioxo-1,3-diazinan-5-yl]-5-(methoxymethyl)-4-methyloxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-4-methoxy-3-methyloxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C=CN=C1CC(=O)C(CC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC6=CC=CC=C6C=N5

DOS

IR

Vibrations