Geometry & MOs

Info

ID:	69240
PubChem CID:	46530506
Reduced:	SN2F3O3C20H21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	488.196074
ΔH_f, kcal/mol:	-234.75
Dipole, Da:	8.12
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations