Geometry & MOs

Info

ID:	418228
PubChem CID:	135103911
Reduced:	O5N6C31H42 (1)
Stoich.:	A5B6C31D42 (1)
Weight, g/mol:	332.099477
ΔH_f, kcal/mol:	-193.92
Dipole, Da:	4.51
IP(EA), eV:	-9.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoropyridin-3-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CNCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations