Geometry & MOs

Info

ID:	64509
PubChem CID:	29202166
Reduced:	BrSN2O6C16H19 (1)
Stoich.:	ABC2D6E16F19 (1)
Weight, g/mol:	495.13202
ΔH_f, kcal/mol:	-222.84
Dipole, Da:	8.15
IP(EA), eV:	-9.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopentyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations