Geometry & MOs

Info

ID:

417974

PubChem CID:

135103203

Reduced:

SO6N9C40H47 (1)

Stoich.:

AB6C9D40E47 (1)

Weight, g/mol:

385.200156

ΔHf, kcal/mol:

-156.62

Dipole, Da:

14.5

IP(EA), eV:

 -8.03(-0.86)

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-(3-methylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CNC6=CC=CC=C65)C

DOS

IR

Vibrations