Geometry & MOs

Info

ID:

426934

PubChem CID:

135154601

Reduced:

O6N9C41H51 (1)

Stoich.:

A6B9C41D51 (1)

Weight, g/mol:

531.27229

ΔHf, kcal/mol:

-101.63

Dipole, Da:

8.07

IP(EA), eV:

 -8.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[[(1S)-1-(4-methylphenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2)C(=O)CCO)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC.CC1=CC2=C(N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC)N(N=C2)C

DOS

IR

Vibrations