Geometry & MOs

Info

ID:	365117
PubChem CID:	127316859
Reduced:	ClSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	2.32
IP(EA), eV:	-8.82(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations