Geometry & MOs

Info

ID:	348611
PubChem CID:	127273722
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	9.01
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations