Geometry & MOs

Info

ID:

297947

PubChem CID:

117636623

Reduced:

OSF3N8C36H43 (1)

Stoich.:

ABC3D8E36F43 (1)

Weight, g/mol:

514.176265

ΔHf, kcal/mol:

-93.24

Dipole, Da:

3.4

IP(EA), eV:

 -8.78(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-4-methyl-5-[[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(N2CCN3CCN(CC3)C(=O)CCC4CC4)C#N)CN5CCC(CC5)NC6=C7C=C(SC7=NC=N6)CC(F)(F)F

DOS

IR

Vibrations