Geometry & MOs

Info

ID:

438855

PubChem CID:

135228613

Reduced:

N3O3C27H35 (1)

Stoich.:

A3B3C27D35 (1)

Weight, g/mol:

541.215904

ΔHf, kcal/mol:

-72.14

Dipole, Da:

6.58

IP(EA), eV:

 -7.83(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(E)-[(Z)-3-aminoprop-2-enylidene]amino]-1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(CN=C/C(=C\N)/C1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=O)C)C(C)(C)C)OC)O

DOS

IR

Vibrations