Geometry & MOs

Info

ID:	159781
PubChem CID:	57288743
Reduced:	ON2C6H14 (1)
Stoich.:	AB2C6D14 (1)
Weight, g/mol:	560.16104
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	3.18
IP(EA), eV:	-9.3(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S)-5-[(2S,3aR,4R,6aS)-4-[(3R,4R)-3-hydroxy-4-methyl-4-(trifluoromethyl)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate

Drug info:

PubChemData

Smile

C(CC=O)CNCCN

DOS

IR

Vibrations