Geometry & MOs

Info

ID:	368089
PubChem CID:	127327459
Reduced:	FSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	359.152829
ΔH_f, kcal/mol:	-60.41
Dipole, Da:	4.58
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N3CCCC(C3)NS(=O)(=O)C4=CC=CC(=C4)F

DOS

IR

Vibrations