Geometry & MOs

Info

ID:	163580
PubChem CID:	58037099
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	514.222489
ΔH_f, kcal/mol:	-116.3
Dipole, Da:	1.79
IP(EA), eV:	-8.6(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)phenanthren-1-yl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OC(C)OCCCC2CCCC2

DOS

IR

Vibrations