Geometry & MOs

Info

ID:

419693

PubChem CID:

135108708

Reduced:

ClSN6O6C33H43 (1)

Stoich.:

ABC6D6E33F43 (1)

Weight, g/mol:

416.267508

ΔHf, kcal/mol:

-260.86

Dipole, Da:

2.36

IP(EA), eV:

 -9.06(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(2-ethylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CSC2=CC=C(C=C2)Cl)C)CC3=CC=CC=C3

DOS

IR

Vibrations