Geometry & MOs

Info

ID:	232185
PubChem CID:	87575659
Reduced:	O6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	424.182064
ΔH_f, kcal/mol:	-184.34
Dipole, Da:	2.6
IP(EA), eV:	-9.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3'S,4R)-1,1-dioxospiro[2,3-dihydrothiochromene-4,4'-pyrrolidine]-3'-yl]-4-phenylpiperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C/C=C(/C(=O)OCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2)\O

DOS

IR

Vibrations