Geometry & MOs

Info

ID:	421346
PubChem CID:	135115811
Reduced:	ClSF3N3O3C13H17 (1)
Stoich.:	ABC3D3E3F13G17 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-264.41
Dipole, Da:	6.31
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=C(C=C(C=N2)C(F)(F)F)Cl

DOS

IR

Vibrations