Geometry & MOs

Info

ID:	127731
PubChem CID:	51013131
Reduced:	O2H11C12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	298.141638
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	7.06
IP(EA), eV:	-9.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,6S,7R,8S,11R)-3,7,11-trihydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undec-4-en-10-one

Drug info:

PubChemData

Smile

CC[C@@]12C3C([C@](C1=O)(C(=C2C4=CC=CC=C4)C5=CC=CC=C5)CC)OC(=O)O3

DOS

IR

Vibrations