Geometry & MOs

Info

ID:	421399
PubChem CID:	135115918
Reduced:	SO3N4C10H16 (1)
Stoich.:	AB3C4D10E16 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-95.45
Dipole, Da:	2.94
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(1-methyl-5-phenylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC=C1)NCCNS(=O)(=O)C

DOS

IR

Vibrations