Geometry & MOs

Info

ID:	380259
PubChem CID:	134970645
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	380.195162
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	3.02
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,6S,7R,9S)-1,2,8-tritert-butyl-3,7,12-triphosphahexacyclo[5.5.0.02,12.03,8.04,6.09,11]dodecane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1([C@@H](CCO1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations