Geometry & MOs

Info

ID:	420635
PubChem CID:	135114521
Reduced:	SN3O6C20H27 (1)
Stoich.:	AB3C6D20E27 (1)
Weight, g/mol:	421.150093
ΔH_f, kcal/mol:	-201.09
Dipole, Da:	4.77
IP(EA), eV:	-9.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[3-(trifluoromethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)N4C=CC=N4)OC)O

DOS

IR

Vibrations