Geometry & MOs

Info

ID:

328314

PubChem CID:

126700665

Reduced:

O3N6C20H20 (1)

Stoich.:

A3B6C20D20 (1)

Weight, g/mol:

417.18009

ΔHf, kcal/mol:

-24.79

Dipole, Da:

8.6

IP(EA), eV:

 -8.26(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-cyclopropyl-2-[[2-(3-oxo-1,2-dihydroisoindol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)NC1=CC2=C3C(=C1)OCCCN3C(=N2)C4=CC5=C(C=C4)OC(=N5)N

DOS

IR

Vibrations