Geometry & MOs

Info

ID:

223789

PubChem CID:

85335570

Reduced:

S2O3N6C27H32 (1)

Stoich.:

A2B3C6D27E32 (1)

Weight, g/mol:

554.212512

ΔHf, kcal/mol:

-25.12

Dipole, Da:

3.83

IP(EA), eV:

 -8.38(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[1-[4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CN(C)C(=S)N1CCN(CC1)C(=O)C(CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations