Geometry & MOs

Info

ID:

308094

PubChem CID:

125316917

Reduced:

N3O4H25C26 (1)

Stoich.:

A3B4C25D26 (1)

Weight, g/mol:

443.184506

ΔHf, kcal/mol:

-36.18

Dipole, Da:

6.52

IP(EA), eV:

 -8.51(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5S,6R,7R)-N-[2-(2H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)NCCC5=C6C=CC=CC6=NC5

DOS

IR

Vibrations