Geometry & MOs

Info

ID:

7179

PubChem CID:

71481

Reduced:

S2O5N8C33H48 (1)

Stoich.:

A2B5C8D33E48 (1)

Weight, g/mol:

700.318909

ΔHf, kcal/mol:

-166.05

Dipole, Da:

3.23

IP(EA), eV:

 -8.51(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-ethenylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-butanoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)CCC

DOS

IR

Vibrations