Geometry & MOs

Info

ID:	50615
PubChem CID:	12013172
Reduced:	SO4N6C22H30 (1)
Stoich.:	AB4C6D22E30 (1)
Weight, g/mol:	488.220575
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	7.61
IP(EA), eV:	-8.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-[[4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=C2C(=NC(=NC2=O)CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCN(CC4)C)N(N1)C

DOS

IR

Vibrations