Geometry & MOs

Info

ID:	84094
PubChem CID:	49864114
Reduced:	FNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	458.230453
ΔH_f, kcal/mol:	-118.27
Dipole, Da:	4.55
IP(EA), eV:	-8.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aR)-6-(hydroxymethyl)-3-[(Z)-1-hydroxy-10-methyl-3-oxododec-1-enyl]-9a-methyl-5,6-dihydrofuro[3,2-g]isochromene-2,9-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations