Geometry & MOs

Info

ID:

49667

PubChem CID:

11533497

Reduced:

SN4O4C27H28 (1)

Stoich.:

AB4C4D27E28 (1)

Weight, g/mol:

504.205593

ΔHf, kcal/mol:

-84.48

Dipole, Da:

6.55

IP(EA), eV:

 -8.41(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-ethyl-4-[(Z)-C-(4-pyrazol-1-ylphenyl)-N-(2-pyrrolidin-1-ylethoxy)carbonimidoyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=O)N)C4=CC5=C(C=CC(=C5)C#N)C=C4

DOS

IR

Vibrations