Geometry & MOs

Info

ID:	378790
PubChem CID:	134224890
Reduced:	OF3N5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	-133.11
Dipole, Da:	3.92
IP(EA), eV:	-8.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-ethylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazol-1-yl]azetidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations