Geometry & MOs

Info

ID:	378732
PubChem CID:	134224828
Reduced:	SO3N6C17H20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	3.59
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)CC1(CN(C1)S(=O)(=O)C)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations