Geometry & MOs

Info

ID:	67836
PubChem CID:	46507268
Reduced:	NSF2O3H9C15 (1)
Stoich.:	ABC2D3E9F15 (1)
Weight, g/mol:	469.239913
ΔH_f, kcal/mol:	-150.48
Dipole, Da:	6.42
IP(EA), eV:	-9.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-adamantyloxy)propyl]-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=CNC3=C(C2=O)C=CC(=C3)F)F

DOS

IR

Vibrations