Geometry & MOs

Info

ID:	172710
PubChem CID:	75542553
Reduced:	ClSF2O2N3H18C20 (1)
Stoich.:	ABC2D2E3F18G20 (1)
Weight, g/mol:	379.13322
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	3.43
IP(EA), eV:	-9.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-1,5-dihydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1C(C2C(NC(NC2=O)SCC3=CC(=CC=C3)Cl)NC1=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations