Geometry & MOs

Info

ID:	416361
PubChem CID:	135089374
Reduced:	NSO6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	361.114793
ΔH_f, kcal/mol:	-250.92
Dipole, Da:	11.95
IP(EA), eV:	-9.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-2-hydroxy-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations