Geometry & MOs

Info

ID:	149564
PubChem CID:	53789237
Reduced:	NC21H33 (1)
Stoich.:	AB21C33 (1)
Weight, g/mol:	746.345483
ΔH_f, kcal/mol:	3.44
Dipole, Da:	1.22
IP(EA), eV:	-8.6(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-5-[(2S)-1,2-dihydroxyspiro[2.4]heptan-2-yl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-6-hept-1-ynyl-4-phenylmethoxybenzoic acid

Drug info:

PubChemData

Smile

C=CC(C1=CC=CC=C1)N2CCCCCCCCCCCC2

DOS

IR

Vibrations