Geometry & MOs

Info

ID:	243507
PubChem CID:	99225209
Reduced:	BrSN3O5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	480.190989
ΔH_f, kcal/mol:	-142.87
Dipole, Da:	4.94
IP(EA), eV:	-8.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-N-[3-[(6-methylpyridin-2-yl)amino]-3-oxopropyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CCNC(=O)C2=CC=C(O2)COC3=CC(=CC=C3)Br

DOS

IR

Vibrations