Geometry & MOs

Info

ID:	127681
PubChem CID:	51011026
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	364.206986
ΔH_f, kcal/mol:	-28.2
Dipole, Da:	3.96
IP(EA), eV:	-9.01(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,8S,9R,10S,11R)-9-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatetracyclo[9.2.1.02,10.04,8]tetradec-12-en-3-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CC(=O)[C@@H]1[C@@H]3[C@@]2(C=C[C@@H]3/C(=C\CC=C(C)C)/C)CO

DOS

IR

Vibrations