Geometry & MOs

Info

ID:	150966
PubChem CID:	53790663
Reduced:	PSN2O8H29C34 (1)
Stoich.:	ABC2D8E29F34 (1)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	-142.57
Dipole, Da:	10.11
IP(EA), eV:	-8.74(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3S,4S)-3-(4-phenylmethoxybutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C(=O)C(=O)S[C@H]1CC(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])O

DOS

IR

Vibrations