Geometry & MOs

Info

ID:

420679

PubChem CID:

135114655

Reduced:

S2O7N8C37H52 (1)

Stoich.:

A2B7C8D37E52 (1)

Weight, g/mol:

406.225643

ΔHf, kcal/mol:

-277.58

Dipole, Da:

6.37

IP(EA), eV:

 -8.41(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)CN3CCCC3=O)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations