Geometry & MOs

Info

ID:

221691

PubChem CID:

85285980

Reduced:

SiO4C37H58 (1)

Stoich.:

AB4C37D58 (1)

Weight, g/mol:

595.217932

ΔHf, kcal/mol:

-208.93

Dipole, Da:

2.08

IP(EA), eV:

 -8.46(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-carboxy-4-[[4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]butanoyl]amino]naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC2=C(C3CC(=COC)CCC3C(O2)(C)C#CCO[Si](C)(C)C(C)(C)C)C(=C1)OCC=C

DOS

IR

Vibrations