Geometry & MOs

Info

ID:	134435
PubChem CID:	51695755
Reduced:	SN3O7C19H25 (1)
Stoich.:	AB3C7D19E25 (1)
Weight, g/mol:	334.141633
ΔH_f, kcal/mol:	-228.34
Dipole, Da:	8.29
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(5-amino-3-methylpyrazol-1-yl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-olate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C[C@@H]([C@@H]([C@@H](CO)O)O)O)N=NC2=CC(=CC=C2)S(=O)(=O)O)C

DOS

IR

Vibrations