Geometry & MOs

Info

ID:	350919
PubChem CID:	127279207
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	3.3
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations