Geometry & MOs

Info

ID:	309588
PubChem CID:	126549707
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	644.163243
ΔH_f, kcal/mol:	-120.3
Dipole, Da:	7.58
IP(EA), eV:	-8.75(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-bis(4-naphthalen-1-ylphenyl)-[1]benzothiolo[3,2-b][1]benzothiole

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC(C)C

DOS

IR

Vibrations