Geometry & MOs

Info

ID:	398677
PubChem CID:	135034763
Reduced:	FOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	478.147512
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	4.83
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)F)N(C1=O)C)CSC#N

DOS

IR

Vibrations