Geometry & MOs

Info

ID:	378786
PubChem CID:	134224885
Reduced:	OSF4N7H17C18 (1)
Stoich.:	ABC4D7E17F18 (1)
Weight, g/mol:	487.104971
ΔH_f, kcal/mol:	-129.48
Dipole, Da:	3.74
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CSN1CC(C1)(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2F)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations