Geometry & MOs

Info

ID:	378796
PubChem CID:	134224896
Reduced:	N6H16C17 (1)
Stoich.:	A6B16C17 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	115.01
Dipole, Da:	6.25
IP(EA), eV:	-8.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC2=NC(=NC=C2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations