Geometry & MOs

Info

ID:	315401
PubChem CID:	126625889
Reduced:	NO7C16H29 (1)
Stoich.:	AB7C16D29 (1)
Weight, g/mol:	424.20613
ΔH_f, kcal/mol:	-350.58
Dipole, Da:	1.83
IP(EA), eV:	-10.12(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,3R,5S)-2-[5-(2,3-difluorophenyl)-3-hydroxypent-4-ynyl]-3,5-dihydroxycyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)OCC(COC(=O)C(C)(C)C(C)(C)C)OC(=O)NC

DOS

IR

Vibrations