Geometry & MOs

Info

ID:	312649
PubChem CID:	126607164
Reduced:	ClO5C29H31 (1)
Stoich.:	AB5C29D31 (1)
Weight, g/mol:	476.219889
ΔH_f, kcal/mol:	-177.95
Dipole, Da:	3.18
IP(EA), eV:	-8.74(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,6R)-6-[3-[[4-(1,3-dihydro-2-benzofuran-1-ylmethoxy)phenyl]methyl]-4-methylphenyl]-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

C1C(CC(OC1CO)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OCCC4CC5=CC=CC=C5O4)O

DOS

IR

Vibrations