Geometry & MOs

Info

ID:

297944

PubChem CID:

117636615

Reduced:

SO2F3N6C27H29 (1)

Stoich.:

AB2C3D6E27F29 (1)

Weight, g/mol:

600.24943

ΔHf, kcal/mol:

-152.07

Dipole, Da:

2.77

IP(EA), eV:

 -8.89(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-hydroxy-2-propan-2-yloxypropyl)-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

CC1=C(C=CC2=C1C=C(N2CC(CO)O)C#N)CN3CCC(CC3)NC4=C5C=C(SC5=NC=N4)CC(F)(F)F

DOS

IR

Vibrations