Geometry & MOs

Info

ID:	147810
PubChem CID:	53787468
Reduced:	ClF4C35H41 (1)
Stoich.:	AB4C35D41 (1)
Weight, g/mol:	402.17696
ΔH_f, kcal/mol:	-202.9
Dipole, Da:	6.07
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2R)-2-(2-bromooctyl)cyclopentyl]-2-oxoheptanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)CCC2CCC(CC2)CCC3=CC(=C(C(=C3)F)C4=CC(=C(C(=C4)F)Cl)F)F

DOS

IR

Vibrations