Geometry & MOs

Info

ID:

438828

PubChem CID:

135228585

Reduced:

FSO5N6C30H35 (1)

Stoich.:

ABC5D6E30F35 (1)

Weight, g/mol:

610.237368

ΔHf, kcal/mol:

-166.87

Dipole, Da:

7.01

IP(EA), eV:

 -8.57(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-butan-2-yl-2-[1-[(2R)-2-(2-cyanoethoxy)-2-(5-fluoro-2-hydroxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-pyrazol-1-ylthieno[2,3-d]pyrimidin-3-yl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C(C)(C)N1C(=O)C2=C(N(C1=O)C[C@@H](C3=C(C=CC(=C3)F)OCC)OCC#N)SC(=C2C)N4C=CC=N4

DOS

IR

Vibrations