Geometry & MOs

Info

ID:	315859
PubChem CID:	126629125
Reduced:	N3H45C65 (1)
Stoich.:	A3B45C65 (1)
Weight, g/mol:	164.068473
ΔH_f, kcal/mol:	283.81
Dipole, Da:	2.77
IP(EA), eV:	-8.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S)-5-(hydroxymethyl)oxane-2,3,4-triol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(NC(=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC(=C9)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations