Geometry & MOs

Info

ID:	353717
PubChem CID:	127285294
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	2.2
IP(EA), eV:	-8.84(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN1CC2=NOC(=N2)C3CCOCC3

DOS

IR

Vibrations