Geometry & MOs

Info

ID:	378794
PubChem CID:	134224894
Reduced:	FO3N5H16C23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	388.13176
ΔH_f, kcal/mol:	1.8
Dipole, Da:	4.17
IP(EA), eV:	-9.68(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C(C(=N2)C3=CC(=NC=C3)F)NC(CC4=CC=CO4)C(=O)O)C#N

DOS

IR

Vibrations