Geometry & MOs

Info

ID:	122616
PubChem CID:	50815115
Reduced:	BrOSN5H14C19 (1)
Stoich.:	ABCD5E14F19 (1)
Weight, g/mol:	473.99615
ΔH_f, kcal/mol:	102.49
Dipole, Da:	8.25
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-1,3-benzothiazol-2-yl)-4-(2,6-difluorophenyl)-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=CC=NC=C5

DOS

IR

Vibrations