Geometry & MOs

Info

ID:	365033
PubChem CID:	127316683
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	7.33
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations