Geometry & MOs

Info

ID:	144653
PubChem CID:	53393910
Reduced:	ClFO2N4C18H24 (1)
Stoich.:	ABC2D4E18F24 (1)
Weight, g/mol:	456.212359
ΔH_f, kcal/mol:	-122.15
Dipole, Da:	5.87
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,5-dihydroxy-2-[3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)NCN2C3=CC(=CC=C3)F)CCNC(=O)CCCl

DOS

IR

Vibrations