Geometry & MOs

Info

ID:	233397
PubChem CID:	89855543
Reduced:	O6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	418.154702
ΔH_f, kcal/mol:	-223.18
Dipole, Da:	4.31
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-cyclopropylphenyl)methyl]phenyl]-6-(methoxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(=O)OCCCOC=O)O)O

DOS

IR

Vibrations