Geometry & MOs

Info

ID:

191736

PubChem CID:

78183058

Reduced:

PN10O12C38H59 (1)

Stoich.:

AB10C12D38E59 (1)

Weight, g/mol:

466.116127

ΔHf, kcal/mol:

-526.99

Dipole, Da:

9.96

IP(EA), eV:

 -8.43(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[5-[5-[bis(2,2,2-trifluoroethoxy)methyl]-2,4-dioxo-1,3-diazinan-1-yl]-2-(hydroxymethyl)oxolan-3-yl]imino-iminoazanium

Drug info:

PubChemData

Smile

CCN(CC)CC.CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N(C)C)O)NC(=O)C(CC6=CC=C(C=C6)OC)N

DOS

IR

Vibrations