Geometry & MOs

Info

ID:	122612
PubChem CID:	50814708
Reduced:	SN3O4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	442.066653
ΔH_f, kcal/mol:	-119.5
Dipole, Da:	7.79
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC(C)(C)C)C4=CC=CC=C4S1(=O)=O

DOS

IR

Vibrations