Geometry & MOs

Info

ID:	46550
PubChem CID:	10525142
Reduced:	SN2O6H18C19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	402.159295
ΔH_f, kcal/mol:	-172.18
Dipole, Da:	3.94
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-benzimidazol-2-yl)-1,3-diphenylpyrazolo[3,4-b]pyridin-6-amine

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=CC=C1C2N(C(=O)CS2)NC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations