Geometry & MOs

Info

ID:	133667
PubChem CID:	51570867
Reduced:	SO3N5C19H33 (1)
Stoich.:	AB3C5D19E33 (1)
Weight, g/mol:	498.188977
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	8.08
IP(EA), eV:	-8.32(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[5-[(3,4-dimethoxybenzoyl)amino]-3-methylpyrazol-1-yl]-1-(2,3-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-olate

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)S(=O)(=O)N2CCC[C@H](C2)C(=O)N[C@@H](C)CN3CCCCC3

DOS

IR

Vibrations