Geometry & MOs

Info

ID:	378880
PubChem CID:	134224982
Reduced:	SO2N7H15C16 (1)
Stoich.:	AB2C7D15E16 (1)
Weight, g/mol:	369.100794
ΔH_f, kcal/mol:	54.47
Dipole, Da:	2.8
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1(C#N)NC2=NC(=NC=C2)C3=C4C=CNC4=NC=N3

DOS

IR

Vibrations