Geometry & MOs

Info

ID:	437357
PubChem CID:	135226166
Reduced:	O2C9H15 (2)
Stoich.:	A2B9C15 (2)
Weight, g/mol:	330.200651
ΔH_f, kcal/mol:	-198.95
Dipole, Da:	6.57
IP(EA), eV:	-9.72(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-8-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoropent-1-enyl]-3,5-dihydroxycyclopentyl]oct-6-en-2-one

Drug info:

PubChemData

Smile

CC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)C)O)O)O

DOS

IR

Vibrations