Geometry & MOs

Info

ID:

335961

PubChem CID:

127254968

Reduced:

BrN2O4H23C30 (1)

Stoich.:

AB2C4D23E30 (1)

Weight, g/mol:

422.15902

ΔHf, kcal/mol:

4.21

Dipole, Da:

5.58

IP(EA), eV:

 -8.72(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@@H](C2(C3N1C4=CC=CC(=C4C=C3)NC(=O)C)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Br

DOS

IR

Vibrations