Geometry & MOs

Info

ID:	176911
PubChem CID:	76111801
Reduced:	O2C45H68 (1)
Stoich.:	A2B45C68 (1)
Weight, g/mol:	366.215472
ΔH_f, kcal/mol:	-149.37
Dipole, Da:	4.61
IP(EA), eV:	-8.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)CCC3=CC=C(C=C3)C(=O)C(C)CCCCCC

DOS

IR

Vibrations