Geometry & MOs

Info

ID:	382377
PubChem CID:	134973503
Reduced:	O5C10H14 (1)
Stoich.:	A5B10C14 (1)
Weight, g/mol:	364.01577
ΔH_f, kcal/mol:	-224.43
Dipole, Da:	3.76
IP(EA), eV:	-10.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,5R,7S,9R)-9-(bromomethyl)-7-ethoxycarbonyl-3,8,10-trioxatricyclo[5.4.0.02,4]undecane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)[C@@]1(CCC(=O)O1)C)C(=O)OC

DOS

IR

Vibrations