Geometry & MOs

Info

ID:	300554
PubChem CID:	121360513
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	547.423674
ΔH_f, kcal/mol:	-11.47
Dipole, Da:	1.17
IP(EA), eV:	-9.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[(2R,5S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl]oxy]ethyl-hydroxyamino]acetate

Drug info:

PubChemData

Smile

CC/C(=C\C=C(/C)\C(=O)C)/CC#N

DOS

IR

Vibrations