Geometry & MOs

Info

ID:	50229
PubChem CID:	12012741
Reduced:	N3O5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	485.02225
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	2.22
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1',4-diacetyl-5'-bromo-2'-oxospiro[1,3,4-oxadiazole-5,3'-indole]-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1C2(C3=CC=CC=C3N(C2=O)C)OC(=N1)C4=CC=CC=C4OC(=O)C

DOS

IR

Vibrations