Geometry & MOs

Info

ID:	179420
PubChem CID:	76481622
Reduced:	NO5C8H13 (2)
Stoich.:	AB5C8D13 (2)
Weight, g/mol:	384.197045
ΔH_f, kcal/mol:	-471.64
Dipole, Da:	7.84
IP(EA), eV:	-10.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(4-ethoxybut-2-enylsulfinylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)(CO)OC(=O)CNC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations