Geometry & MOs

Info

ID:	150095
PubChem CID:	53789781
Reduced:	NO8C10H15 (1)
Stoich.:	AB8C10D15 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-357.52
Dipole, Da:	6.9
IP(EA), eV:	-10.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,6S,14R,15S)-2,16-dihydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadeca-9,12-dien-11-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NCC(C(=O)O)OC(=O)CCC(=O)O

DOS

IR

Vibrations