Geometry & MOs

Info

ID:	314373
PubChem CID:	126621722
Reduced:	NSO2H13C22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	357.115364
ΔH_f, kcal/mol:	89.36
Dipole, Da:	4.48
IP(EA), eV:	-8.53(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-oxa-28-azaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.019,24]octacosa-1(17),2,4(12),5,7,9,13,15,18(27),19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=C2)C4=C(C=C3)SC5=CC=CC=C54)[N+](=O)[O-]

DOS

IR

Vibrations