Geometry & MOs

Info

ID:	438919
PubChem CID:	135228680
Reduced:	N3C28H33 (1)
Stoich.:	A3B28C33 (1)
Weight, g/mol:	508.230847
ΔH_f, kcal/mol:	62.66
Dipole, Da:	3.97
IP(EA), eV:	-7.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-2-[(3R)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,5-diol

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)(C)C)C4=CN=C(N=C4)C

DOS

IR

Vibrations