Geometry & MOs

Info

ID:	315178
PubChem CID:	126624800
Reduced:	SO2N8C24H30 (1)
Stoich.:	AB2C8D24E30 (1)
Weight, g/mol:	364.108913
ΔH_f, kcal/mol:	54.41
Dipole, Da:	8.33
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylphosphanyl-4-(4-phenoxyphenoxy)pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=CCC(C=C1)(C)[C@@H]2CCCN2C3=NC(=C(C(=N3)NC4=NC=NS4)OC)C5=CN(N=C5)CCO

DOS

IR

Vibrations