Geometry & MOs

Info

ID:	177089
PubChem CID:	76133561
Reduced:	O2N5F6C37H39 (1)
Stoich.:	A2B5C6D37E39 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-271.97
Dipole, Da:	7.36
IP(EA), eV:	-8.91(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[2-[(3-oxo-3-phenylpropylidene)amino]ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCCCCCNC(=O)C2=CC(=C(C(=C2)C3=CC(=CC=C3)C(F)(F)F)OCC4NNNN4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations