Geometry & MOs

Info

ID:

439378

PubChem CID:

135229151

Reduced:

O2N5C17H21 (1)

Stoich.:

A2B5C17D21 (1)

Weight, g/mol:

712.354425

ΔHf, kcal/mol:

2.83

Dipole, Da:

6.99

IP(EA), eV:

-8.73(-0.77)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-[(2R)-5-oxo-5-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC[C@@H](CO)NC1=NC=NC=C1OCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations