Geometry & MOs

Info

ID:	79991
PubChem CID:	49832044
Reduced:	O4C23H36 (1)
Stoich.:	A4B23C36 (1)
Weight, g/mol:	362.282095
ΔH_f, kcal/mol:	-221.56
Dipole, Da:	5.64
IP(EA), eV:	-10.08(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,4S,5R,9S,10S,13S,16S)-5,9,13,16-tetramethyl-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecane-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CCC[C@@]2([C@@H]1CC[C@@]34[C@H]2CC[C@@](C3)(C(=O)O[C@H]4C)C)C)C

DOS

IR

Vibrations