Geometry & MOs

Info

ID:	68375
PubChem CID:	46508292
Reduced:	ClSN2O2H19C21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	498.237939
ΔH_f, kcal/mol:	-9.47
Dipole, Da:	3.3
IP(EA), eV:	-8.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylfuran-3-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=C(C=CC=N3)Cl

DOS

IR

Vibrations