Geometry & MOs

Info

ID:

328328

PubChem CID:

126700724

Reduced:

SO3N8C28H34 (1)

Stoich.:

AB3C8D28E34 (1)

Weight, g/mol:

554.186001

ΔHf, kcal/mol:

-2.68

Dipole, Da:

3.98

IP(EA), eV:

 -9.03(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-(2-fluoro-2-methylpropyl)-6-[(5-methylsulfonylpyridin-2-yl)methylamino]pteridin-7-one

Drug info:

PubChemData

Smile

CC[C@H](C)N1C2=NC(=NC=C2N=C(C1=O)NCC3=NC=C(C=C3)S(=O)(=O)CC)C4=C(N=CN=C4C(C)C)C5CC5

DOS

IR

Vibrations