Geometry & MOs

Info

ID:	309663
PubChem CID:	126553005
Reduced:	ClN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	490.235539
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	3.27
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[4-methyl-3-[[4-[(1-methyl-3H-2-benzofuran-1-yl)methoxy]phenyl]methyl]phenyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H](C1)NC(=O)[C@@H]2CCCO2)C3=CNC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations