Geometry & MOs

Info

ID:	378791
PubChem CID:	134224891
Reduced:	SO4N5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	7.14
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC(C1)(CC(=O)O)N2C=C(C=N2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations