Geometry & MOs

Info

ID:	378731
PubChem CID:	134224827
Reduced:	OSF3N7C18H18 (1)
Stoich.:	ABC3D7E18F18 (1)
Weight, g/mol:	388.13176
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	4.49
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[1-methylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CSN1CC(C1)(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations