Geometry & MOs

Info

ID:	309483
PubChem CID:	126546548
Reduced:	FNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	520.222781
ΔH_f, kcal/mol:	-91.54
Dipole, Da:	4.11
IP(EA), eV:	-9.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-2-[(3Z,5Z)-5-chloro-6-methyl-7-[4-(7-oxaspiro[3.5]nonan-2-yloxy)phenyl]hepta-1,3,5-trien-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CCC2=CC=C(C=C2)F)C=O

DOS

IR

Vibrations