Geometry & MOs

Info

ID:	348565
PubChem CID:	127273676
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	8.56
IP(EA), eV:	-9.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations