Geometry & MOs

Info

ID:	378866
PubChem CID:	134224968
Reduced:	SO3N6C16H18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	367.121529
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	4.38
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)(CC(=O)N)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations