Geometry & MOs

Info

ID:	190963
PubChem CID:	78086856
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	376.218449
ΔH_f, kcal/mol:	-100.35
Dipole, Da:	6.39
IP(EA), eV:	-9.55(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1-(3-cyclopentylpropyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(C2C1CS(=O)(=O)C2)CC3C=C4C=CC=CC4=NC3=O

DOS

IR

Vibrations