Geometry & MOs

Info

ID:	433777
PubChem CID:	135173919
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	439.116604
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	1.8
IP(EA), eV:	-9.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,4-difluoro-3-(5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfinamide

Drug info:

PubChemData

Smile

COCCCCCOCCC1=NOC=C1

DOS

IR

Vibrations