Geometry & MOs

Info

ID:

297941

PubChem CID:

117636605

Reduced:

SF4N7H27C30 (1)

Stoich.:

AB4C7D27E30 (1)

Weight, g/mol:

640.28073

ΔHf, kcal/mol:

-59.65

Dipole, Da:

8.85

IP(EA), eV:

 -8.8(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(cyclohexylmethoxy)-3-hydroxypropyl]-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

C1CN(CC(C1NC2=C3C=C(SC3=NC=N2)CC(F)(F)F)NCC4=CC(=CC=C4)F)CC5=CC6=C(C=C5)NC(=C6)C#N

DOS

IR

Vibrations