Geometry & MOs

Info

ID:

80379

PubChem CID:

49834220

Reduced:

OSN6C27H32 (1)

Stoich.:

ABC6D27E32 (1)

Weight, g/mol:

548.268194

ΔHf, kcal/mol:

69.18

Dipole, Da:

5.66

IP(EA), eV:

 -8.49(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[2-(2-ethyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=CN=CC5=CC=CC=C54)N6CCOCC6

DOS

IR

Vibrations