Geometry & MOs

Info

ID:

84870

PubChem CID:

49870447

Reduced:

N2O14C77H138 (1)

Stoich.:

A2B14C77D138 (1)

Weight, g/mol:

461.256609

ΔHf, kcal/mol:

-626.47

Dipole, Da:

8.57

IP(EA), eV:

 -9.33(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-3-[(1S)-1-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCCC(CCCCCCCCCC#CC#CCCCCCCCCCCCC)(C(=O)NCCOCCOCCOCCOCCOCCO)C(=O)NCCOCCOCCOCCOCCOCCO

DOS

IR

Vibrations