Geometry & MOs

Info

ID:

181937

PubChem CID:

76816373

Reduced:

PN2O16C17H33 (1)

Stoich.:

AB2C16D17E33 (1)

Weight, g/mol:

1440.573011

ΔHf, kcal/mol:

-754.61

Dipole, Da:

6.28

IP(EA), eV:

 -10.18(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[2-(2-amino-4-oxo-1,4a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[2-[2-[2-[[2-[2-[2-[2-[4-[[4-[2-(2-amino-4-oxo-1,4a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]oxyethoxy]ethylcarbamoyl]-4-oxo-6-(3-oxobutoxy)hexyl]sulfanylcyclobutyl]sulfanylmethyl]butanoylamino]ethoxy]ethoxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C(CNC(=O)CON)COC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O

DOS

IR

Vibrations