Geometry & MOs

Info

ID:	326378
PubChem CID:	126687429
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	406.162768
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	0.91
IP(EA), eV:	-8.94(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-1-(2-hydroxyethoxy)-1-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]pentane-2,3,4-triol

Drug info:

PubChemData

Smile

CC(CN1CC2(C1)CC(C2)(CC3=CC=CC=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations