Geometry & MOs

Info

ID:	378587
PubChem CID:	134224678
Reduced:	NSO2H15C26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	307.099714
ΔH_f, kcal/mol:	106.13
Dipole, Da:	4.84
IP(EA), eV:	-8.53(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-oxa-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C3=CC4=C(C=C3)SC5=C4C6=CC=CC=C6C=C5)[N+](=O)[O-]

DOS

IR

Vibrations