Geometry & MOs

Info

ID:	309632
PubChem CID:	126551282
Reduced:	FC24H33 (1)
Stoich.:	AB24C33 (1)
Weight, g/mol:	795.198048
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	1.61
IP(EA), eV:	-8.94(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dibenzothiophen-2-yl-4,6-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)CCCC(CC)CCC)F

DOS

IR

Vibrations