Geometry & MOs

Info

ID:

415633

PubChem CID:

135088632

Reduced:

O6N8C41H48 (1)

Stoich.:

A6B8C41D48 (1)

Weight, g/mol:

379.18173

ΔHf, kcal/mol:

-151.84

Dipole, Da:

14.97

IP(EA), eV:

 -8.75(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-(cyclopentylmethylsulfonyl)-8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3N4C=CC=N4)C5=CC=CC=C5

DOS

IR

Vibrations