Geometry & MOs

Info

ID:	151548
PubChem CID:	53837781
Reduced:	N2O11C39H48 (1)
Stoich.:	A2B11C39D48 (1)
Weight, g/mol:	297.067094
ΔH_f, kcal/mol:	-421.34
Dipole, Da:	4.77
IP(EA), eV:	-8.98(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(2-isothiocyanatophenyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)C(=O)N[C@@H]2CN(CCC[C@H]2OC(=O)C3=CC=C(C=C3)C(=O)C4=C(C=CC(=C4)OC)OCOC)C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations