Geometry & MOs

Info

ID:	420302
PubChem CID:	135112340
Reduced:	SN5O5C28H35 (1)
Stoich.:	AB5C5D28E35 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-163.96
Dipole, Da:	9.3
IP(EA), eV:	-8.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(5-fluoropyrimidin-2-yl)-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=CC=C(O2)CSC)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations