Geometry & MOs

Info

ID:	378825
PubChem CID:	134224926
Reduced:	SO2N7C17H17 (1)
Stoich.:	AB2C7D17E17 (1)
Weight, g/mol:	367.121529
ΔH_f, kcal/mol:	57.24
Dipole, Da:	8.12
IP(EA), eV:	-8.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfinyl-3-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC(C1)(C#N)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations