Geometry & MOs

Info

ID:	163140
PubChem CID:	57646551
Reduced:	FSN3O5H12C15 (1)
Stoich.:	ABC3D5E12F15 (1)
Weight, g/mol:	321.097423
ΔH_f, kcal/mol:	-173.74
Dipole, Da:	7.34
IP(EA), eV:	-9.24(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-(2H-tetrazol-5-yl)-1H-pyrazolo[3,4-b]azepine-3,7-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CN=C3C(=C2N)C(=C(NS3(=O)=O)C(=O)O)O)F

DOS

IR

Vibrations