Geometry & MOs

Info

ID:	360945
PubChem CID:	127301776
Reduced:	BrSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	7.11
IP(EA), eV:	-9.37(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations