Geometry & MOs

Info

ID:	381866
PubChem CID:	134972722
Reduced:	O6C17H30 (1)
Stoich.:	A6B17C30 (1)
Weight, g/mol:	350.209324
ΔH_f, kcal/mol:	-285.97
Dipole, Da:	3.16
IP(EA), eV:	-9.98(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R,6R,7R,8S)-3-methyl-9,13-dioxo-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H]([C@H](O1)CC[C@]2([C@@H](O2)CO)C)O)[C@H]3COC(O3)(C)C

DOS

IR

Vibrations