Geometry & MOs

Info

ID:

426911

PubChem CID:

135154512

Reduced:

N2S2O7C25H30 (1)

Stoich.:

A2B2C7D25E30 (1)

Weight, g/mol:

559.30359

ΔHf, kcal/mol:

-230.24

Dipole, Da:

4.91

IP(EA), eV:

 -9.68(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[methyl-[(4-propan-2-ylphenyl)methyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

COC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCC(CC5)OC

DOS

IR

Vibrations