Geometry & MOs

Info

ID:	314425
PubChem CID:	126621788
Reduced:	NSH23C30 (1)
Stoich.:	ABC23D30 (1)
Weight, g/mol:	359.94697
ΔH_f, kcal/mol:	152.8
Dipole, Da:	2.25
IP(EA), eV:	-7.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodonaphtho[2,1-b][1]benzothiole

Drug info:

PubChemData

Smile

CS1(C2=CC=CC=C2C3=C1C4=CC5=C(C=C4C=C3)C6=CC=CC=C6N5C7=CC=CC=C7)C

DOS

IR

Vibrations