Geometry & MOs

Info

ID:	176972
PubChem CID:	76119665
Reduced:	N2O5C34H46 (1)
Stoich.:	A2B5C34D46 (1)
Weight, g/mol:	330.150095
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	3.3
IP(EA), eV:	-8.13(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC(=O)C(=C1CCC3C2=CCC4(C3CCC4(C(=O)CN5CCNCC5)O)C)CC6=CC(=C(C=C6)OC)OC

DOS

IR

Vibrations