Geometry & MOs

Info

ID:	161585
PubChem CID:	57392064
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	434.152495
ΔH_f, kcal/mol:	108.21
Dipole, Da:	16.96
IP(EA), eV:	-7.96(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)C3=C4C=CC(=C5C=CC(=O)C=C5)N=C4NN3

DOS

IR

Vibrations