Geometry & MOs

Info

ID:	421264
PubChem CID:	135115665
Reduced:	N3O4C21H27 (2)
Stoich.:	A3B4C21D27 (2)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-191.45
Dipole, Da:	6.98
IP(EA), eV:	-8.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-1'-methylsulfonylspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4N5CCOCC5

DOS

IR

Vibrations