Geometry & MOs

Info

ID:	187233
PubChem CID:	77548430
Reduced:	F2N2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	474.298139
ΔH_f, kcal/mol:	-215.23
Dipole, Da:	1.82
IP(EA), eV:	-9.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[7-hydroxy-6-(3-hydroxy-4-phenoxybut-1-enyl)-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]-2-propylhexanoic acid

Drug info:

PubChemData

Smile

CC1(CNC2(CCCC2)C(=O)N1CC(=O)O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations