Geometry & MOs

Info

ID:	432523
PubChem CID:	135172656
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	626.325497
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	5.71
IP(EA), eV:	-9.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1C/C(=C\O)/C(=CC1=O)O

DOS

IR

Vibrations