Geometry & MOs

Info

ID:	44026
PubChem CID:	10322960
Reduced:	ON7C28H31 (1)
Stoich.:	AB7C28D31 (1)
Weight, g/mol:	482.209324
ΔH_f, kcal/mol:	69.16
Dipole, Da:	3.0
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(CC3)C4=NC(=NC=C4)NCC5=CC=CC=C5

DOS

IR

Vibrations