Geometry & MOs

Info

ID:	218284
PubChem CID:	85089126
Reduced:	OSC29H48 (1)
Stoich.:	ABC29D48 (1)
Weight, g/mol:	444.151508
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	4.64
IP(EA), eV:	-8.45(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(3-chlorophenoxy)-3,3-difluorobut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCSC(=CCCC=C(C)CCC=C(C)CCC1C(O1)(C)C)C)C)C

DOS

IR

Vibrations