Geometry & MOs

Info

ID:	382125
PubChem CID:	134973073
Reduced:	O6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	360.142032
ΔH_f, kcal/mol:	-235.9
Dipole, Da:	5.1
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-6-[(2R,6R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]oxan-2-one

Drug info:

PubChemData

Smile

CC(C)([C@@H]1CCO[C@@H](O1)CC2=C(C(=CC=C2)O)C(=O)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations