Geometry & MOs

Info

ID:

429281

PubChem CID:

135169194

Reduced:

FON7H24C27 (1)

Stoich.:

ABC7D24E27 (1)

Weight, g/mol:

608.265965

ΔHf, kcal/mol:

48.13

Dipole, Da:

5.12

IP(EA), eV:

 -8.68(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (NE)-N-[[1-[8-fluoro-6-[5-(pyrimidin-5-ylmethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]quinolin-4-yl]piperidin-3-yl]methylidene]carbamate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C3C=C(C=C(C3=NC=C2)F)C4=CNC5=C4C=C(C=N5)C(=O)NCC6=CN=CN=C6

DOS

IR

Vibrations