Geometry & MOs

Info

ID:

84556

PubChem CID:

49867878

Reduced:

P2N5O15C17H25 (1)

Stoich.:

A2B5C15D17E25 (1)

Weight, g/mol:

559.167944

ΔHf, kcal/mol:

-733.54

Dipole, Da:

4.8

IP(EA), eV:

 -8.95(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-5-[[(2R)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-[[(2R)-4-(methylamino)-4-oxo-2-[(4-phosphonooxyphenyl)methyl]butanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O

DOS

IR

Vibrations