Geometry & MOs

Info

ID:	398168
PubChem CID:	135032132
Reduced:	FC13H13 (1)
Stoich.:	AB13C13 (1)
Weight, g/mol:	604.12256
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	1.59
IP(EA), eV:	-8.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,8,9,14,15,20,21-octamethoxy-25,26-dithiaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

Drug info:

PubChemData

Smile

C=CCC1=C(CCC2=CC=CC=C21)F

DOS

IR

Vibrations