Geometry & MOs

Info

ID:	84922
PubChem CID:	49870673
Reduced:	NO5C26H37 (1)
Stoich.:	AB5C26D37 (1)
Weight, g/mol:	459.262088
ΔH_f, kcal/mol:	-201.52
Dipole, Da:	3.76
IP(EA), eV:	-9.02(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(1,3-dihydroxypropan-2-yl)-7-[(5S)-5-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enamide

Drug info:

PubChemData

Smile

C1CC1CNC(=O)CCCCCCC2[C@H](CC(=O)C2/C=C/C(COC3=CC=CC=C3)O)O

DOS

IR

Vibrations