Geometry & MOs

Info

ID:	27464
PubChem CID:	821457
Reduced:	O3C22H36 (1)
Stoich.:	A3B22C36 (1)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-195.64
Dipole, Da:	3.44
IP(EA), eV:	-10.1(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,4R,6S,7R,10R,11R,16S)-7,11-dimethyl-14-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H](C[C@H]1CC[C@H]3[C@H]2CC[C@]4([C@H]3CC[C@H]4CC(=O)OC)C)O

DOS

IR

Vibrations