Geometry & MOs

Info

ID:	402221
PubChem CID:	135055018
Reduced:	NOPC21H22 (1)
Stoich.:	ABCD21E22 (1)
Weight, g/mol:	342.116212
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	4.01
IP(EA), eV:	-9.05(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-2-(hydroxymethyl)-6-[(1S)-2-hydroxy-1-[(2S,5R)-3,4,5-trihydroxyoxolan-2-yl]ethoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations