Geometry & MOs

Info

ID:	313974
PubChem CID:	126619289
Reduced:	FN5O6C36H38 (1)
Stoich.:	AB5C6D36E38 (1)
Weight, g/mol:	323.94697
ΔH_f, kcal/mol:	-182.52
Dipole, Da:	7.86
IP(EA), eV:	-8.42(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-8-methyldibenzothiophene

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=NC=NC5=CC(=C(C=C54)OC)OCCCN6CCOCC6)F)C)C

DOS

IR

Vibrations