Geometry & MOs

Info

ID:	85046
PubChem CID:	49871451
Reduced:	OF2H12C17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	415.129884
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	3.88
IP(EA), eV:	-8.58(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S,7R)-4-benzyl-2-(4-chlorophenyl)-5-[(1R)-1,2-dihydroxyethyl]-1,5,6,7-tetrahydroimidazo[4,5-b]pyridine-6,7-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=C(C=C3)F)F

DOS

IR

Vibrations