Geometry & MOs

Info

ID:	393113
PubChem CID:	135019443
Reduced:	O4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-112.81
Dipole, Da:	4.28
IP(EA), eV:	-9.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7R,8S,9S,11S)-2,6-dihydroxy-5,5,8-trimethylspiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-10-one

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](C=CC(=O)O2)O[C@@H](O1)C3=CC=CC=C3

DOS

IR

Vibrations