Geometry & MOs

Info

ID:	348590
PubChem CID:	127273701
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	25.11
Dipole, Da:	10.64
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=CC=CC=C2C#N)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations