Geometry & MOs

Info

ID:	352923
PubChem CID:	127284013
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	4.23
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-1-(4-methylidenepiperidin-1-yl)-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2)C(=O)N3CCC(=C)CC3)C)C

DOS

IR

Vibrations