Geometry & MOs

Info

ID:	85169
PubChem CID:	49872195
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	626.418664
ΔH_f, kcal/mol:	15.42
Dipole, Da:	2.66
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-2-prop-2-enylcyclopentyl] hex-5-enoate

Drug info:

PubChemData

Smile

C1CN2CCC1(CC2)CN3CCN4C5=C(C=CC=C5C3=O)C=N4

DOS

IR

Vibrations