Geometry & MOs

Info

ID:	167989
PubChem CID:	74909927
Reduced:	ClSN2O2C23H23 (1)
Stoich.:	ABC2D2E23F23 (1)
Weight, g/mol:	428.174293
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	5.34
IP(EA), eV:	-8.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-3H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)N(CC3CCCO3)C(=O)C=CC4=CC=CC=C4Cl)C

DOS

IR

Vibrations