Geometry & MOs

Info

ID:	149719
PubChem CID:	53789394
Reduced:	FC34H37 (1)
Stoich.:	AB34C37 (1)
Weight, g/mol:	360.175916
ΔH_f, kcal/mol:	61.96
Dipole, Da:	1.99
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(3-hydroxy-4-phenylbut-1-enyl)thiolan-3-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)CCCC)F

DOS

IR

Vibrations