Geometry & MOs

Info

ID:	444003
PubChem CID:	135260969
Reduced:	SO2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	40.88
Dipole, Da:	4.38
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)NC2=NC=CS2)N)OC3=C4C=CNC4=NC=C3

DOS

IR

Vibrations