Geometry & MOs

Info

ID:	179116
PubChem CID:	76435703
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	12.85
Dipole, Da:	2.05
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3a,4,7,7a-hexahydroisoindol-2-yl-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CN(C3C2N4CCC3CC4)CC5=C(N=CC=C5)N

DOS

IR

Vibrations