Geometry & MOs

Info

ID:

443165

PubChem CID:

135257916

Reduced:

SN4O8H36C40 (1)

Stoich.:

AB4C8D36E40 (1)

Weight, g/mol:

596.379852

ΔHf, kcal/mol:

-217.46

Dipole, Da:

4.47

IP(EA), eV:

 -8.78(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-5-[(3S)-3-[[2-amino-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]heptoxy]-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OC(=O)NCCCCCC(=O)NCCNC(=S)NC3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O

DOS

IR

Vibrations