Geometry & MOs

Info

ID:

223818

PubChem CID:

85335617

Reduced:

P3N4C14O15H27 (1)

Stoich.:

A3B4C14D15E27 (1)

Weight, g/mol:

583.271424

ΔHf, kcal/mol:

-862.33

Dipole, Da:

2.9

IP(EA), eV:

 -9.68(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[4-amino-1-[[6-amino-1-[[1-(carboxymethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C(C(OC1C2CN(C(=O)NC2=O)CCC(=O)NCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations