Geometry & MOs

Info

ID:	50616
PubChem CID:	12013173
Reduced:	SO4N6C23H32 (1)
Stoich.:	AB4C6D23E32 (1)
Weight, g/mol:	474.204925
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	3.84
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-[(4-methoxy-3-piperazin-1-ylsulfonylphenyl)methyl]-3-propan-2-yl-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)CC

DOS

IR

Vibrations