Geometry & MOs

Info

ID:	378586
PubChem CID:	134224677
Reduced:	NSO2H13C22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	405.08235
ΔH_f, kcal/mol:	89.06
Dipole, Da:	5.21
IP(EA), eV:	-8.62(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2-nitronaphthalen-1-yl)naphtho[2,1-b][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])C3=CC4=C(C=C3)SC5=CC=CC=C54

DOS

IR

Vibrations