Geometry & MOs

Info

ID:

297952

PubChem CID:

117636636

Reduced:

ClS2F3O3N6C25H30 (1)

Stoich.:

AB2C3D3E6F25G30 (1)

Weight, g/mol:

564.203149

ΔHf, kcal/mol:

-232.78

Dipole, Da:

7.6

IP(EA), eV:

 -8.92(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)NC2=CC(=C(C=C2)CC(=O)N3CCN(CC3)C4=NC=NC5C4C=C(S5)CC(F)(F)F)Cl

DOS

IR

Vibrations