Geometry & MOs

Info

ID:	382152
PubChem CID:	134973115
Reduced:	O7C15H22 (1)
Stoich.:	A7B15C22 (1)
Weight, g/mol:	372.178418
ΔH_f, kcal/mol:	-309.89
Dipole, Da:	4.38
IP(EA), eV:	-10.09(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1C=CC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC

DOS

IR

Vibrations