Geometry & MOs

Info

ID:	187970
PubChem CID:	77649457
Reduced:	SN2F3O4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	453.248838
ΔH_f, kcal/mol:	-243.17
Dipole, Da:	7.0
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-ethoxyethyl)-3-ethyl-7-[(5-methylpyridin-2-yl)amino]pyrazolo[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1CC(CNS(=O)(=O)C3=CC=CC4=CC=CC=C43)OC(=O)C(F)(F)F

DOS

IR

Vibrations