Geometry & MOs

Info

ID:	302362
PubChem CID:	124361420
Reduced:	NO5C27H45 (1)
Stoich.:	AB5C27D45 (1)
Weight, g/mol:	539.397459
ΔH_f, kcal/mol:	-273.57
Dipole, Da:	2.52
IP(EA), eV:	-9.37(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(4R)-2,2-dimethyloxan-4-yl]-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N2CCC3(CC2)OCCO3)O

DOS

IR

Vibrations