Geometry & MOs

Info

ID:	147786
PubChem CID:	53787444
Reduced:	O3C17H18 (2)
Stoich.:	A3B17C18 (2)
Weight, g/mol:	540.251189
ΔH_f, kcal/mol:	-175.33
Dipole, Da:	2.57
IP(EA), eV:	-9.33(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,5R,6R)-3,4,5-tribenzyl-3,4,5,6,7-pentahydroxy-1-phenylheptan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)[C@@](CC2=CC=CC=C2)([C@](CC3=CC=CC=C3)([C@@](CC4=CC=CC=C4)([C@@H](CO)O)O)O)O

DOS

IR

Vibrations