Geometry & MOs

Info

ID:

443156

PubChem CID:

135257907

Reduced:

ON12C47H62 (1)

Stoich.:

AB12C47D62 (1)

Weight, g/mol:

478.301602

ΔHf, kcal/mol:

70.4

Dipole, Da:

3.63

IP(EA), eV:

 -7.83(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[(2-amino-5-methoxypyrimidin-4-yl)amino]-7-[[4-[[(2S)-1-hydroxypentan-2-yl]amino]-5-methoxypyrimidin-2-yl]amino]heptan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)N1C=C(C2=CN=C(N=C21)NC3=C(C=C(C=C3)N4CCN(CC4)C)CCC(CC)N5C=C(C6=CN=C(N=C65)NC7=CC=C(C=C7)N8CCN(CC8)C(=O)C)C)C

DOS

IR

Vibrations