Geometry & MOs

Info

ID:

215482

PubChem CID:

85084803

Reduced:

PN5O15C46H54 (1)

Stoich.:

AB5C15D46E54 (1)

Weight, g/mol:

948.491647

ΔHf, kcal/mol:

-565.52

Dipole, Da:

3.23

IP(EA), eV:

 -9.18(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-2-[[2-[2-[[2-[[2-[[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCOP(=O)(NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OCC4C(C(C(C(O4)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations