Geometry & MOs

Info

ID:	394154
PubChem CID:	135022431
Reduced:	O3C10H16 (2)
Stoich.:	A3B10C16 (2)
Weight, g/mol:	352.188589
ΔH_f, kcal/mol:	-302.31
Dipole, Da:	2.98
IP(EA), eV:	-9.99(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3-acetyloxy-6-[(1S)-4,4-dimethyl-3-methylidenecyclohexyl]oxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C[C@@H]1O[C@@H]2C=C[C@@H](C(O2)COC(=O)C)OC(=O)C)C(C)C

DOS

IR

Vibrations