Geometry & MOs

Info

ID:	423073
PubChem CID:	135118872
Reduced:	NCl2S2O5C10H11 (1)
Stoich.:	AB2C2D5E10F11 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-189.97
Dipole, Da:	7.78
IP(EA), eV:	-9.86(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-oxoethyl]-4-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@H]1O)C(=O)O)S(=O)(=O)C2=CC(=C(S2)Cl)Cl

DOS

IR

Vibrations