Geometry & MOs

Info

ID:	79768
PubChem CID:	49830298
Reduced:	ClN5C14H14 (1)
Stoich.:	AB5C14D14 (1)
Weight, g/mol:	420.113523
ΔH_f, kcal/mol:	71.04
Dipole, Da:	3.22
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C(NC=C2C3=CC(=NC(=C3)Cl)NCCN)N=C1

DOS

IR

Vibrations