Geometry & MOs

Info

ID:	122617
PubChem CID:	50815116
Reduced:	BrOSF2N4H13C20 (1)
Stoich.:	ABCD2E4F13G20 (1)
Weight, g/mol:	426.096203
ΔH_f, kcal/mol:	1.31
Dipole, Da:	8.58
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorophenyl)-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

CC1=C2C(CC(=O)N=C2N(N1)C3=NC4=C(S3)C=C(C=C4)Br)C5=C(C=CC=C5F)F

DOS

IR

Vibrations