Geometry & MOs

Info

ID:

297934

PubChem CID:

117636542

Reduced:

SF3N7C31H36 (1)

Stoich.:

AB3C7D31E36 (1)

Weight, g/mol:

565.187164

ΔHf, kcal/mol:

-69.29

Dipole, Da:

2.15

IP(EA), eV:

 -8.7(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-1-(1,3-oxazol-2-ylmethyl)-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(N2CCC3CCNCC3)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC=N5)CC(F)(F)F

DOS

IR

Vibrations