Geometry & MOs

Info

ID:	182193
PubChem CID:	76856616
Reduced:	FSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	476.224597
ΔH_f, kcal/mol:	-151.43
Dipole, Da:	3.57
IP(EA), eV:	-9.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]methyl]-2,3,4a,5,6,7,8,9a-octahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)C=CC(=O)OCC3CCCCO3

DOS

IR

Vibrations