Geometry & MOs

Info

ID:

336283

PubChem CID:

127255290

Reduced:

BrN2O5H23C34 (1)

Stoich.:

AB2C5D23E34 (1)

Weight, g/mol:

490.22162

ΔHf, kcal/mol:

-38.27

Dipole, Da:

5.03

IP(EA), eV:

 -8.47(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)[C@@H]3[C@@H](N4C([C@]35C6=CC=CC=C6NC5=O)C=CC7=CC=CC=C74)C(=O)C8=CC=C(C=C8)Br

DOS

IR

Vibrations