Geometry & MOs

Info

ID:

219918

PubChem CID:

85165041

Reduced:

NO5C39H53 (1)

Stoich.:

AB5C39D53 (1)

Weight, g/mol:

616.225793

ΔHf, kcal/mol:

-202.58

Dipole, Da:

4.59

IP(EA), eV:

 -9.63(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=NO)C5(C)C)C)C)C2C1)COC(=O)C=CC6=CC=CC=C6)C(=O)O)C

DOS

IR

Vibrations