Geometry & MOs

Info

ID:

297940

PubChem CID:

117636604

Reduced:

FSN6C24H25 (1)

Stoich.:

ABC6D24E25 (1)

Weight, g/mol:

593.198478

ΔHf, kcal/mol:

55.68

Dipole, Da:

1.1

IP(EA), eV:

 -8.77(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-[(3-fluorophenyl)methylamino]-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=C(N2)C#N)CN3CCC(CC3)NC4=C5C=C(SC5=NC=N4)CCF

DOS

IR

Vibrations