Geometry & MOs

Info

ID:

335589

PubChem CID:

127254451

Reduced:

BrClNO3H25C31 (1)

Stoich.:

ABCD3E25F31 (1)

Weight, g/mol:

476.20597

ΔHf, kcal/mol:

-23.34

Dipole, Da:

4.95

IP(EA), eV:

 -8.53(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@@H](C2(C3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Br

DOS

IR

Vibrations