Geometry & MOs

Info

ID:	220218
PubChem CID:	85165375
Reduced:	TeI3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	675.2607
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	5.9
IP(EA), eV:	-8.62(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylheptan-2-yl)-9-thiocyanato-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 3-iodobenzoate

Drug info:

PubChemData

Smile

CCCCCCC=C([Te](CCCC)(I)I)I

DOS

IR

Vibrations