Geometry & MOs

Info

ID:

328850

PubChem CID:

126728362

Reduced:

P2N5O5C10H14 (1)

Stoich.:

A2B5C5D10E14 (1)

Weight, g/mol:

575.579889

ΔHf, kcal/mol:

-163.64

Dipole, Da:

2.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765578

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[2-aminoethyl(2-aminopropan-2-yl)amino]ethylamino]ethyl]amino]ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]-2-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

C1[C@@H]2C(C([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=P)(O1)O

DOS

IR

Vibrations