Geometry & MOs

Info

ID:	348645
PubChem CID:	127273756
Reduced:	S2O3N4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	6.93
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=NS(=O)(=O)C3=CC=CC=C3N2)C4=NC=CS4

DOS

IR

Vibrations