Geometry & MOs

Info

ID:	329177
PubChem CID:	126731534
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	422.041581
ΔH_f, kcal/mol:	-4.95
Dipole, Da:	2.02
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chloro-5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfinamide

Drug info:

PubChemData

Smile

CCCCCOC1=NC=NC2=C1C=CN2

DOS

IR

Vibrations