Geometry & MOs

Info

ID:	365228
PubChem CID:	127317076
Reduced:	SN3O3C18H33 (1)
Stoich.:	AB3C3D18E33 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	5.91
IP(EA), eV:	-8.52(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)N(CC(C)C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations