Geometry & MOs

Info

ID:

446531

PubChem CID:

135275691

Reduced:

NOC7H10 (4)

Stoich.:

ABC7D10 (4)

Weight, g/mol:

599.231474

ΔHf, kcal/mol:

-160.88

Dipole, Da:

3.78

IP(EA), eV:

 -7.99(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-cyclopentyl-N,N-dimethyl-2-[[5-methyl-6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)pyridin-3-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(CC(=O)OC)C2=CC3=C(CCN(C3)C(=O)OC(C)(C)C)C=C2)C)N)NC

DOS

IR

Vibrations