Geometry & MOs

Info

ID:

159666

PubChem CID:

57288603

Reduced:

SN2C19H25 (2)

Stoich.:

AB2C19D25 (2)

Weight, g/mol:

531.334859

ΔHf, kcal/mol:

40.59

Dipole, Da:

9.62

IP(EA), eV:

 -8.17(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(3aR,4S,5S,6aS)-5-hydroxy-4-(3-oxonon-1-enyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]-N-benzyl-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC(C1)CC2=CC=CC=C2)C(C3=CC(=CC=C3)C(C4CCCCC(C4)CC5=CC=CC=C5)NC(=S)N)NC(=S)N

DOS

IR

Vibrations